| 
        
                            
                    
     | 
        
        
            Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
        
                            
                                                                                                            Antoine Marie
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Xavier Blase
                                                                ,
                                                                                                                                Pierre-François Loos
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04794754
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Multichannel Dyson equations for even- and odd-order Green's functions: Application to double excitations
        
                            
                                                                                                            Gabriele Riva
                                                                ,
                                                                                                                                Théodore Fischer
                                                                ,
                                                                                                                                Stefano Paggi
                                                                ,
                                                                                                                                J. Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-05129669
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Multichannel Dyson equation: derivation and analysis
        
                            
                                                                                                            Gabriele Riva
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04766467
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Anomalous propagators and the particle-particle channel: Hedin's equations
        
                            
                                                                                                            Antoine Marie
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Pierre-François Loos
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04609000
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            The multi-channel Dyson equation: coupling many-body Green's functions
        
                            
                                                                                                            Gabriele Riva
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04279783
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Screened extended Koopmans' theorem: photoemission at weak and strong correlation
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Jaakko Koskelo
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03831819
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Assignment of excitonic insulators in ab initio theories: The case of NiBr2
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Alejandro Molina-Sanchez
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Davide Sangalli
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04075936
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies
        
                            
                                                                                                            Roberto Orlando
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Pierre-François Loos
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04201951
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Introducing screening in one-body density matrix functionals: Impact on charged excitations of model systems via the extended Koopmans' theorem
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Jaakko Koskelo
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03771081
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
        
                            
                                                                                                            Andrew Michael Teale
                                                                ,
                                                                                                                                Trygve Helgaker
                                                                ,
                                                                                                                                Andreas Savin
                                                                ,
                                                                                                                                Carlo Adano
                                                                ,
                                                                                                                                Bálint Aradi
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03770771
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Static and Dynamic Bethe-Salpeter Equations in the $T$-Matrix Approximation
        
                            
                                                                                                            Pierre-Francois Loos
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03578293
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Photoemission spectral functions from the three-body Green's function
        
                            
                                                                                                            Gabriele Riva
                                                                ,
                                                                                                                                Timothee Audinet
                                                                ,
                                                                                                                                Matthieu Vladaj
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03683895
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Time dependent reduced density matrix functional theory at strong correlation: insights from a two-site Anderson impurity model
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Claudio Verdozzi
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03342208
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach
        
                            
                                                                                                            Arjan Berger
                                                                ,
                                                                                                                                Pierre-Francois Loos
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-02928385
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Photoemission Spectra from the Extended Koopman’s Theorem, Revisited
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Jaakko Koskelo
                                                                ,
                                                                                                                                Julien Prodhon
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Michel Caffarel
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03448633
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Scrutinizing GW-Based Methods Using the Hubbard Dimer
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Pierre-Francois Loos
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03315304
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Photoemission spectrum in paramagnetic FeO under pressure: Towards an ab initio description
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Jaakko Koskelo
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03178936
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Challenges for large scale simulation: general discussion
        
                            
                                                                                                            Jan Gerit Brandenburg
                                                                ,
                                                                                                                                Kieron Burke
                                                                ,
                                                                                                                                Bartolomeo Civalleri
                                                                ,
                                                                                                                                Daniel Cole
                                                                ,
                                                                                                                                Gábor Csányi
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03961436
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Accurate optical spectra of solids from pure time-dependent density-functional theory
        
                            
                                                                                                            Sarah Cavo
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-02367294
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Optical spectra of 2D monolayers from time-dependent density functional theory
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03031574
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            New approaches to study excited states in density functional theory: general discussion
        
                            
                                                                                                            Jan Gerit Brandenburg
                                                                ,
                                                                                                                                Kieron Burke
                                                                ,
                                                                                                                                Emmanuel Fromager
                                                                ,
                                                                                                                                Matteo Gatti
                                                                ,
                                                                                                                                Sara Giarrusso
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                             (data paper)
                    
        
        
            
                
                    hal-03961430
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            New density-functional approximations and beyond: general discussion
        
                            
                                                                                                            Jan Gerit Brandenburg
                                                                ,
                                                                                                                                Kieron Burke
                                                                ,
                                                                                                                                Antonio Cancio
                                                                ,
                                                                                                                                Jannis Erhard
                                                                ,
                                                                                                                                Emmanuel Fromager
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-03525539
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Many-Body Effective Energy Theory: Photoemission at Strong Correlation
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-02308390
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Optical properties from time-dependent current-density-functional theory: the case of the alkali metals Na, K, Rb, and Cs
        
                            
                                                                                                            Ruben Ferradás
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01834294
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Green Functions and Self-Consistency: Insights From the Spherium Model
        
                            
                                                                                                            Pierre-François Loos
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01802937
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient
        
                            
                                                                                                            Walter Tarantino
                                                                ,
                                                                                                                                Bernardo S. Mendoza
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Lucia Reining
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01743001
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Unphysical Discontinuities in GW Methods
        
                            
                                                                                                            Mickaël Veril
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Pierre-François Loos
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01912209
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Optical properties of periodic systems within the current-current response framework: pitfalls and remedies
        
                            
                                                                                                            Davide Sangalli
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Claudio Attaccalite
                                                                ,
                                                                                                                                Myrta Gruning
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01444894
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Self-consistent Dyson equation and self-energy functionals: An analysis and illustration on the example of the Hubbard atom
        
                            
                                                                                                            Walter Tarantino
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Lucia Reining
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01583906
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Gauge-Invariant Formulation of Circular Dichroism
        
                            
                                                                                                            Nathaniel Raimbault
                                                                ,
                                                                                                                                Paul L. de Boeij
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01358881
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Photoemission spectra from reduced density matrices: The band gap in strongly correlated systems
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Lucia Reining
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01418336
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Reduced density-matrix functional theory: Correlation and spectroscopy
        
                            
                                                                                                            Stefano Di Sabatino
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Lucia Reining
                                                                ,
                                                                                                                                Pina Romaniello
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01191716
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                            
                    
     | 
        
        
            Unphysical and physical solutions in many-body theories: from weak to strong correlation
        
                            
                                                                                                            Adrian Stan
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Santiago Rigamonti
                                                                ,
                                                                                                                                Lucia Reining
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01222216
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Gauge-Invariant Calculation of Static and Dynamical Magnetic Properties from the Current Density
        
                            
                                                                                                            Nathaniel Raimbault
                                                                ,
                                                                                                                                Paul L. de Boeij
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Arjan Berger
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01117338
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Towards time-dependent current-density-functional theory in the non-linear regime
        
                            
                                                                                                            José M. Escartín Esteban
                                                                ,
                                                                                                                                Marc Vincendon
                                                                ,
                                                                                                                                Phuong Mai Dinh
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Paul-Gerhard Reinhard
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01135982
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Solution to the many-body problem in one point
        
                            
                                                                                                            Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Falk Tandetzky
                                                                ,
                                                                                                                                Bernardo S. Mendoza
                                                                ,
                                                                                                                                Christian Brouder
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01117310
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Erratum: Solution to the many-body problem in one point
        
                            
                                                                                                            Arjan Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Falk Tandetzky
                                                                ,
                                                                                                                                Bernardo S Mendoza
                                                                ,
                                                                                                                                Christian Brouder
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-01117926
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Calculation of photoelectron spectra: A mean-field-based scheme
        
                            
                                                                                                            Phuong Mai Dinh
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                P.-G. Reinhard
                                                                ,
                                                                                                                                Eric Suraud
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00983353
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Photoelectron spectra from full time dependent self-interaction correction
        
                            
                                                                                                            Marc Vincendon
                                                                ,
                                                                                                                                Phuong Mai Dinh
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                P. G. Reinhard
                                                                ,
                                                                                                                                Eric Suraud
                                                                                    
                 
                            
                 Article dans une revue
                    
                    istex
        
        
            
                
                    hal-00983461
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            On transition rates in surface hopping
        
                            
                                                                                                            José M. Escartín Esteban
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                L. Stella
                                                                ,
                                                                                                                                Paul-Gerhard Reinhard
                                                                ,
                                                                                                                                Eric Suraud
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00772707
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Beyond the GW approximation: combining correlation channels
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Friedhelm Bechstedt
                                                                ,
                                                                                                                                Lucia Reining
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00690287
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Approximations for many-body Green's functions: insights from the fundamental equations
        
                            
                                                                                                            Giovanna Lani
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Lucia Reining
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00664609
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Double excitations in correlated systems: A many–body approach
        
                            
                                                                                                            Davide Sangalli
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Giovanni Onida
                                                                ,
                                                                                                                                Andrea Marini
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00564857
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites
        
                            
                                                                                                            Matteo Guzzo
                                                                ,
                                                                                                                                Giovanna Lani
                                                                ,
                                                                                                                                Francesco Sottile
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                Matteo Gatti
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00659118
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Nonlinear Optical Properties of Ni(Me6pzS2)MX (M = Ni, Pd, Pt; X = Me2timdt, mnt)
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                M. C. d'Andria
                                                                ,
                                                                                                                                F. Lelj
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-00562674
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            The self-energy beyond GW: Local and nonlocal vertex corrections
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Steve Guyot
                                                                ,
                                                                                                                                Lucia Reining
                                                                                    
                 
                            The Journal of Chemical Physics, 2009, 131 (15), pp.154111 
                 Article dans une revue
                    
        
        
            
                
                    hal-00990134
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Double excitations in finite systems
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Davide Sangalli
                                                                ,
                                                                                                                                Arjan Berger
                                                                ,
                                                                                                                                Francesco Sottile
                                                                ,
                                                                                                                                Luca G. Molinari
                                                                                            et al.
                            
                 
                            The Journal of Chemical Physics, 2009, 130 (4), pp.044108 
                 Article dans une revue
                    
        
        
            
                
                    hal-00990148
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Relativistic two-component formulation of time-dependent current-density functional theory: Application to the linear response of solids
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                P. de Boeij
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04931934
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Structural and new spectroscopic properties of neutral $[\hbox{M(dmit)}_{\bf 2}] (\hbox{dmit} = \hbox{C}_{\bf 3} \hbox{S}_{\bf 5}^{\bf 2-}$ , 1,3-dithiole-2-thione-4,5-dithiolate) and $[\hbox{M}(\hbox{H}_{\bf 2}\hbox{timdt})_{\bf 2}](\hbox{H}_{\bf 2}\hbox{timdt} = \hbox{H}_{\bf 2} \hbox{C}_{\bf 3} \hbox{N}_{\bf 2} \hbox{S}_{\bf 3}^{\bf 1-}$ , monoanion of imidazolidine-2,4,5-trithione) complexes within the density functional approach
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Francesco Lelj
                                                                ,
                                                                                                                                Massimiliano Arca
                                                                ,
                                                                                                                                Francesco A. Devillanova
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04931983
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Optical properties of bcc transition metals in the range 0 – 40 eV
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                P. de Boeij
                                                                ,
                                                                                                                                F. Carbone
                                                                ,
                                                                                                                                D. van der Marel
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932018
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Performance of the Vignale-Kohn functional in the linear response of metals
        
                            
                                                                                                            J. Berger
                                                                ,
                                                                                                                                Pina Romaniello
                                                                ,
                                                                                                                                R. van Leeuwen
                                                                ,
                                                                                                                                P. de Boeij
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932005
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                 
                        
                     
                                    
     | 
        
        
            Time-dependent current-density-functional theory for the metallic response of solids
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                P. de Boeij
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932060
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Effects of fluorine atoms on the optical nonlinear response of stilbene derivatives
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Francesco Lelj
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932070
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Limits in the second-order response of [M(H2imXdt) (H2imYdt)] neutral complexes (M=Ni, Pd, Pt; H2imXdt=monoanion of imidazolidine-2-chalcogenone-4,5-dithione; X=O, S, Se; Y=O, S, Se; X≠Y): a pure theoretical study based on TD-DFT approach and ZORA formalism
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Francesco Lelj
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932111
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Ground and Excited States of [M(H 2 timdt) 2 ] Neutral Dithiolenes (M = Ni, Pd, Pt; H 2 timdt = Monoanion of Imidazolidine-2,4,5-trithione): Description within TDDFT and Scalar Relativistic (ZORA) Approaches
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                M. Aragoni
                                                                ,
                                                                                                                                M. Arca
                                                                ,
                                                                                                                                T. Cassano
                                                                ,
                                                                                                                                C. Denotti
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932108
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Picosecond absorption saturation dynamics in neutral [M(R,R′timdt)2] metal-dithiolenes
        
                            
                                                                                                            T. Cassano
                                                                ,
                                                                                                                                R. Tommasi
                                                                ,
                                                                                                                                L. Nitti
                                                                ,
                                                                                                                                M. Aragoni
                                                                ,
                                                                                                                                M. Arca
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932142
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Optical non-linear properties of the [MXY] neutral mixed-ligand dithiolenes (M=Ni, Pd, Pt; X=R2timdt, dmit, mnt; Y=R2timdt, dmit, mnt; X≠Y). The role of coordinated metal, substituents and of high lying excited states
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Francesco Lelj
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932131
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            NIR Dyes Based on [M(R,R′timdt) 2 ] Metal‐Dithiolenes: Additivity of M, R, and R′ Contributions To Tune the NIR Absorption (M = Ni, Pd, Pt; R,R′timdt = Monoreduced Form of Disubstituted Imidazolidine‐2,4,5‐trithione)
        
                            
                                                                                                            M. Carla Aragoni
                                                                ,
                                                                                                                                Massimiliano Arca
                                                                ,
                                                                                                                                Tiziana Cassano
                                                                ,
                                                                                                                                Carla Denotti
                                                                ,
                                                                                                                                Francesco A. Devillanova
                                                                                            et al.
                            
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932121
                                            v1
                                    
            
        
     | 
                                                                                
    | 
        
                                                
     | 
        
        
            Halogen Bond in (CH 3 ) n X (X = N, P, n = 3; X = S, n = 2) and (CH 3 ) n XO (X = N, P, n = 3; X = S, n = 2) Adducts with CF 3 I. Structural and Energy Analysis Including Relativistic Zero-Order Regular Approximation Approach in a Density Functional Theory Framework
        
                            
                                                                                                            Pina Romaniello
                                                                ,
                                                                                                                                Francesco Lelj
                                                                                    
                 
                            
                 Article dans une revue
                    
        
        
            
                
                    hal-04932145
                                            v1
                                    
            
        
     |