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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
|
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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
|
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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
|
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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
|
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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
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The multi-channel Dyson equation: coupling many-body Green's functions
Gabriele Riva
,
Pina Romaniello
,
Arjan Berger
Article dans une revue
hal-04279783
v1
|
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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
|
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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
|
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Static and Dynamic Bethe-Salpeter Equations in the $T$-Matrix Approximation
Pierre-Francois Loos
,
Pina Romaniello
Article dans une revue
hal-03578293
v1
|
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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
|
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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
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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
|
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Scrutinizing GW-Based Methods Using the Hubbard Dimer
Stefano Di Sabatino
,
Pierre-Francois Loos
,
Pina Romaniello
Article dans une revue
hal-03315304
v1
|
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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
|
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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
|
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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
|
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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
|
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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
|
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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
|
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Many-Body Effective Energy Theory: Photoemission at Strong Correlation
Stefano Di Sabatino
,
Arjan Berger
,
Pina Romaniello
Article dans une revue
hal-02308390
v1
|
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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
|
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Green Functions and Self-Consistency: Insights From the Spherium Model
Pierre-François Loos
,
Pina Romaniello
,
Arjan Berger
Article dans une revue
hal-01802937
v1
|
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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
|
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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
|
|
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
|
|
Gauge-Invariant Formulation of Circular Dichroism
Nathaniel Raimbault
,
Paul L. de Boeij
,
Pina Romaniello
,
Arjan Berger
Article dans une revue
hal-01358881
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
|
|
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
|
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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
|
|
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
|
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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
|
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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
|
|
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
|
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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
|
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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
|
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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
|
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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
|
|
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
|
|
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
|
|
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
|
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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
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