Pina Romaniello

Publications

Article dans une revue (60)

Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation Antoine Marie,Pina Romaniello,Xavier Blase,Pierre-François Loos The Journal of Chemical Physics, 2025, 162 (13), pp.134105. ⟨10.1063/5.0250155⟩ Article dans une revue hal-04794754v1
Ground and excited-state properties of the extended Hubbard dimer from the multichannel Dyson equation Stefano Paggi,J. Arjan Berger,Pina Romaniello The Journal of Chemical Physics, 2025, 163 (15), pp.154109. ⟨10.1063/5.0291280⟩ Article dans une revue hal-05353420v1
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 Physical Review B, 2025, 111 (19), pp.195133. ⟨10.1103/PhysRevB.111.195133⟩ Article dans une revue hal-05129669v1
Multichannel Dyson equation: derivation and analysis Gabriele Riva,Pina Romaniello,Arjan Berger Physical Review B, 2024, 110, pp.115140. ⟨10.1103/PhysRevB.110.115140⟩ Article dans une revue hal-04766467v1
Anomalous propagators and the particle-particle channel: Hedin's equations Antoine Marie,Pina Romaniello,Pierre-François Loos Physical Review B, 2024, 110, pp.115155. ⟨10.1103/PhysRevB.110.115155⟩ Article dans une revue hal-04609000v1
The multi-channel Dyson equation: coupling many-body Green's functions Gabriele Riva,Pina Romaniello,Arjan Berger Physical Review Letters, 2023, 131 (21), pp.216401. ⟨10.1103/PhysRevLett.131.216401⟩ Article dans une revue hal-04279783v1
Assignment of excitonic insulators in ab initio theories: The case of NiBr2 Stefano Di Sabatino,Alejandro Molina-Sanchez,Pina Romaniello,Davide Sangalli Physical Review B, 2023, 107 (11), pp.115121. ⟨10.1103/PhysRevB.107.115121⟩ Article dans une revue hal-04075936v1
Screened extended Koopmans' theorem: photoemission at weak and strong correlation Stefano Di Sabatino,Jaakko Koskelo,Arjan Berger,Pina Romaniello Physical Review B, 2023, 107 (3), pp.035111. ⟨10.1103/PhysRevB.107.035111⟩ Article dans une revue hal-03831819v1
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 The Journal of Chemical Physics, 2023, 159 (18), pp.184113. ⟨10.1063/5.0176898⟩ Article dans une revue hal-04201951v1
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 Physical Review B, 2022, 105 (23), pp.235123. ⟨10.1103/PhysRevB.105.235123⟩ Article dans une revue hal-03771081v1
DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science Andrew Michael Teale,Trygve Helgaker,Andreas Savin,Carlo Adano,Bálint Aradiet al. Physical Chemistry Chemical Physics, 2022, 24 (47), pp.28700-28781. ⟨10.1039/D2CP02827A⟩ Article dans une revue hal-03770771v1
Static and Dynamic Bethe-Salpeter Equations in the $T$-Matrix Approximation Pierre-Francois Loos,Pina Romaniello The Journal of Chemical Physics, 2022, 156 (16), pp.164101. ⟨10.1063/5.0088364⟩ Article dans une revue hal-03578293v1
Photoemission spectral functions from the three-body Green's function Gabriele Riva,Timothee Audinet,Matthieu Vladaj,Pina Romaniello,Arjan Berger SciPost Physics, 2022, 12 (3), pp.093. ⟨10.21468/SciPostPhys.12.3.093⟩ Article dans une revue hal-03683895v1
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 Physical Chemistry Chemical Physics, 2021, 23 (31), pp.16730-16738. ⟨10.1039/D1CP01742J⟩ Article dans une revue hal-03342208v1
Photoemission Spectra from the Extended Koopman’s Theorem, Revisited Stefano Di Sabatino,Jaakko Koskelo,Julien Prodhon,Arjan Berger,Michel Caffarelet al. Frontiers in Chemistry, 2021, 9, pp.746735. ⟨10.3389/fchem.2021.746735⟩ Article dans une revue hal-03448633v1
Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach Arjan Berger,Pierre-Francois Loos,Pina Romaniello Journal of Chemical Theory and Computation, 2021, 17 (1), pp.191-200. ⟨10.1021/acs.jctc.0c00896⟩ Article dans une revue hal-02928385v1
Scrutinizing GW-Based Methods Using the Hubbard Dimer Stefano Di Sabatino,Pierre-Francois Loos,Pina Romaniello Frontiers in Chemistry, 2021, 9, pp.751054. ⟨10.3389/fchem.2021.751054⟩ Article dans une revue hal-03315304v1
Photoemission spectrum in paramagnetic FeO under pressure: Towards an ab initio description Stefano Di Sabatino,Jaakko Koskelo,Arjan Berger,Pina Romaniello Physical Review Research, 2021, 3 (1), pp.013172. ⟨10.1103/PhysRevResearch.3.013172⟩ Article dans une revue hal-03178936v1
Challenges for large scale simulation: general discussion Jan Gerit Brandenburg,Kieron Burke,Bartolomeo Civalleri,Daniel Cole,Gábor Csányiet al. Faraday Discussions, 2020, 224, pp.309-332. ⟨10.1039/D0FD90024A⟩ Article dans une revue hal-03961436v1
Optical spectra of 2D monolayers from time-dependent density functional theory Stefano Di Sabatino,Arjan Berger,Pina Romaniello Faraday Discussions, 2020, 224, pp.467-482. ⟨10.1039/D0FD00073F⟩ Article dans une revue hal-03031574v1
Accurate optical spectra of solids from pure time-dependent density-functional theory Sarah Cavo,Arjan Berger,Pina Romaniello Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, 101 (11), pp.115109. ⟨10.1103/PhysRevB.101.115109⟩ Article dans une revue hal-02367294v1
New approaches to study excited states in density functional theory: general discussion Jan Gerit Brandenburg,Kieron Burke,Emmanuel Fromager,Matteo Gatti,Sara Giarrussoet al. Faraday Discussions, 2020, 224 (1-2), pp.483-508. ⟨10.1039/D0FD90026E⟩ Article dans une revue (data paper) hal-03961430v1
New density-functional approximations and beyond: general discussion Jan Gerit Brandenburg,Kieron Burke,Antonio Cancio,Jannis Erhard,Emmanuel Fromageret al. Faraday Discussions, 2020, 224, pp.166-200. ⟨10.1039/D0FD90023K⟩ Article dans une revue hal-03525539v1
Many-Body Effective Energy Theory: Photoemission at Strong Correlation Stefano Di Sabatino,Arjan Berger,Pina Romaniello Journal of Chemical Theory and Computation, 2019, 15 (9), pp.5080-5086. ⟨10.1021/acs.jctc.9b00427⟩ Article dans une revue hal-02308390v1
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 The European Physical Journal B: Condensed Matter and Complex Systems, 2018, 91 (6), pp.119. ⟨10.1140/epjb/e2018-90122-9⟩ Article dans une revue hal-01834294v1
Green Functions and Self-Consistency: Insights From the Spherium Model Pierre-François Loos,Pina Romaniello,Arjan Berger Journal of Chemical Theory and Computation, 2018, 14 (6), pp.3071-3082. ⟨10.1021/acs.jctc.8b00260⟩ Article dans une revue hal-01802937v1
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 Journal of Physics: Condensed Matter, 2018, 30 (13), pp.135602. ⟨10.1088/1361-648X/aaaeab⟩ Article dans une revue hal-01743001v1
Unphysical Discontinuities in GW Methods Mickaël Veril,Pina Romaniello,Arjan Berger,Pierre-François Loos Journal of Chemical Theory and Computation, 2018, 14 (10), pp.5220-5228. ⟨10.1021/acs.jctc.8b00745⟩ Article dans une revue hal-01912209v1
Optical properties of periodic systems within the current-current response framework: pitfalls and remedies Davide Sangalli,Arjan Berger,Claudio Attaccalite,Myrta Gruning,Pina Romaniello Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95 (15), pp.155203. ⟨10.1103/PhysRevB.95.155203⟩ Article dans une revue hal-01444894v1
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 Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (4), pp.045124. ⟨10.1103/PhysRevB.96.045124⟩ Article dans une revue hal-01583906v1
Gauge-Invariant Formulation of Circular Dichroism Nathaniel Raimbault,Paul L. de Boeij,Pina Romaniello,Arjan Berger Journal of Chemical Theory and Computation, 2016, 12 (7), pp.3278-3283. ⟨10.1021/acs.jctc.6b00068⟩ Article dans une revue hal-01358881v1
Photoemission spectra from reduced density matrices: The band gap in strongly correlated systems Stefano Di Sabatino,Arjan Berger,Lucia Reining,Pina Romaniello Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 94, pp.155141. ⟨10.1103/PhysRevB.94.155141⟩ Article dans une revue hal-01418336v1
Reduced density-matrix functional theory: Correlation and spectroscopy Stefano Di Sabatino,Arjan Berger,Lucia Reining,Pina Romaniello The Journal of Chemical Physics, 2015, 143 (2), pp.024108. ⟨10.1063/1.4926327⟩ Article dans une revue hal-01191716v1
Unphysical and physical solutions in many-body theories: from weak to strong correlation Adrian Stan,Pina Romaniello,Santiago Rigamonti,Lucia Reining,Arjan Berger New Journal of Physics, 2015, 17 (9), pp.093045. ⟨10.1088/1367-2630/17/9/093045⟩ Article dans une revue hal-01222216v1
Gauge-Invariant Calculation of Static and Dynamical Magnetic Properties from the Current Density Nathaniel Raimbault,Paul L. de Boeij,Pina Romaniello,Arjan Berger Physical Review Letters, 2015, 114, pp.066404. ⟨10.1103/PhysRevLett.114.066404⟩ Article dans une revue hal-01117338v1
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 Reinhardet al. The Journal of Chemical Physics, 2015, 142 (8), pp.084118. ⟨10.1063/1.4913291⟩ Article dans une revue hal-01135982v1
Solution to the many-body problem in one point Arjan Berger,Pina Romaniello,Falk Tandetzky,Bernardo S. Mendoza,Christian Brouderet al. New Journal of Physics, 2014, 16, pp.113025. ⟨10.1088/1367-2630/16/11/113025⟩ Article dans une revue hal-01117310v1
Erratum: Solution to the many-body problem in one point Arjan Berger,Pina Romaniello,Falk Tandetzky,Bernardo S Mendoza,Christian Brouderet al. New Journal of Physics, 2014, 16 (11), pp.113025. ⟨10.1088/1367-2630/16/11/119601⟩ Article dans une revue hal-01117926v1
Calculation of photoelectron spectra: A mean-field-based scheme Phuong Mai Dinh,Pina Romaniello,P.-G. Reinhard,Eric Suraud Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2013, 87 (3), pp.032514. ⟨10.1103/PhysRevA.87.032514⟩ Article dans une revue hal-00983353v1
Photoelectron spectra from full time dependent self-interaction correction Marc Vincendon,Phuong Mai Dinh,Pina Romaniello,P. G. Reinhard,Eric Suraud The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2013, 67 (5), pp.97. ⟨10.1140/epjd/e2013-30461-7⟩ Article dans une revue istex hal-00983461v1
On transition rates in surface hopping José M. Escartín Esteban,Pina Romaniello,L. Stella,Paul-Gerhard Reinhard,Eric Suraud The Journal of Chemical Physics, 2012, 137, pp.234113. ⟨10.1063/1.4770280⟩ Article dans une revue hal-00772707v1
Beyond the GW approximation: combining correlation channels Pina Romaniello,Friedhelm Bechstedt,Lucia Reining Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (15), pp.155131. ⟨10.1103/PhysRevB.85.155131⟩ Article dans une revue hal-00690287v1
Approximations for many-body Green's functions: insights from the fundamental equations Giovanna Lani,Pina Romaniello,Lucia Reining New Journal of Physics, 2012, 14, pp.013056. ⟨10.1088/1367-2630/14/1/013056⟩ Article dans une revue hal-00664609v1
Double excitations in correlated systems: A many–body approach Davide Sangalli,Pina Romaniello,Giovanni Onida,Andrea Marini The Journal of Chemical Physics, 2011, 134, pp.034115. ⟨10.1063/1.3518705⟩ Article dans une revue hal-00564857v1
Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites Matteo Guzzo,Giovanna Lani,Francesco Sottile,Pina Romaniello,Matteo Gattiet al. Physical Review Letters, 2011, 107 (16), pp.166401. ⟨10.1103/PhysRevLett.107.166401⟩ Article dans une revue hal-00659118v1
Nonlinear Optical Properties of Ni(Me6pzS2)MX (M = Ni, Pd, Pt; X = Me2timdt, mnt) Pina Romaniello,M. C. d'Andria,F. Lelj Journal of Physical Chemistry A, 2010, 114 (18), pp.5838-5845. ⟨10.1021/jp911353n⟩ Article dans une revue hal-00562674v1
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-00990134v1
Double excitations in finite systems Pina Romaniello,Davide Sangalli,Arjan Berger,Francesco Sottile,Luca G. Molinariet al. The Journal of Chemical Physics, 2009, 130 (4), pp.044108 Article dans une revue hal-00990148v1
Relativistic two-component formulation of time-dependent current-density functional theory: Application to the linear response of solids Pina Romaniello,P. de Boeij The Journal of Chemical Physics, 2007, 127 (17), ⟨10.1063/1.2780146⟩ Article dans une revue hal-04931934v1
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 Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2007, 117 (5-6), pp.621-635. ⟨10.1007/s00214-006-0194-1⟩ Article dans une revue hal-04931983v1
Optical properties of bcc transition metals in the range 0 – 40 eV Pina Romaniello,P. de Boeij,F. Carbone,D. van der Marel Physical Review B, 2006, 73 (7), pp.075115. ⟨10.1103/PhysRevB.73.075115⟩ Article dans une revue hal-04932018v1
Performance of the Vignale-Kohn functional in the linear response of metals J. Berger,Pina Romaniello,R. van Leeuwen,P. de Boeij Physical Review B, 2006, 74 (24), pp.245117. ⟨10.1103/PhysRevB.74.245117⟩ Article dans une revue hal-04932005v1
Time-dependent current-density-functional theory for the metallic response of solids Pina Romaniello,P. de Boeij Physical Review B, 2005, 71 (15), pp.155108. ⟨10.1103/PhysRevB.71.155108⟩ Article dans une revue hal-04932060v1
Effects of fluorine atoms on the optical nonlinear response of stilbene derivatives Pina Romaniello,Francesco Lelj Journal of Fluorine Chemistry, 2004, 125 (2), pp.145-149. ⟨10.1016/j.jfluchem.2003.10.002⟩ Article dans une revue hal-04932070v1
Picosecond absorption saturation dynamics in neutral [M(R,R′timdt)2] metal-dithiolenes T. Cassano,R. Tommasi,L. Nitti,M. Aragoni,M. Arcaet al. The Journal of Chemical Physics, 2003, 118 (13), pp.5995-6002. ⟨10.1063/1.1556612⟩ Article dans une revue hal-04932142v1
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 Journal of Molecular Structure: THEOCHEM, 2003, 636 (1-3), pp.23-37. ⟨10.1016/S0166-1280(03)00349-X⟩ Article dans une revue hal-04932111v1
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. Denottiet al. Journal of Physical Chemistry A, 2003, 107 (45), pp.9679-9687. ⟨10.1021/jp034758r⟩ Article dans une revue hal-04932108v1
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 Chemical Physics Letters, 2003, 372 (1-2), pp.51-58. ⟨10.1016/S0009-2614(03)00356-7⟩ Article dans une revue hal-04932131v1
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. Devillanovaet al. European Journal of Inorganic Chemistry, 2003, 2003 (10), pp.1939-1947. ⟨10.1002/ejic.200200602⟩ Article dans une revue hal-04932121v1
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 Journal of Physical Chemistry A, 2002, 106 (39), pp.9114-9119. ⟨10.1021/jp0255334⟩ Article dans une revue hal-04932145v1

Chapitre d'ouvrage (2)

Chapter Eleven - Exploring new exchange-correlation kernels in the Bethe–Salpeter equation: A study of the asymmetric Hubbard dimer Roberto Orlando,Pina Romaniello,Pierre-Francois Loos Advances in Quantum Chemistry, 88, Elsevier, pp.183-211, 2023, 978-0-443-18663-9. ⟨10.1016/bs.aiq.2023.02.007⟩ Chapitre d'ouvrage hal-04604531v1
Hubbard Dimer in GW and Beyond Pina Romaniello Eva Pavarini and Erik Koch (eds.). Simulating Correlations with Computers Modeling and Simulation, 11, 2021, 978-3-95806-529-1 Chapitre d'ouvrage hal-04932624v1

Thèse (1)

Time-dependent current-density-functional theory for metals Pina Romaniello Physics [physics]. University of Groningen, 2006. English. ⟨NNT : ⟩ Thèse tel-04932053v1

HDR (1)

Correlation and spectroscopy in many-body theories Pina Romaniello Physics [physics]. Université Toulouse III - Paul Sabatier, 2017 HDR tel-04932222v1