Pina Romaniello

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Publications

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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-04794754 v1

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-04766467 v1
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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-04609000 v1

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-03831819 v1

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-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
The Journal of Chemical Physics, 2023, 159 (18), pp.184113. ⟨10.1063/5.0176898⟩
Article dans une revue hal-04201951 v1

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-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.
Physical Chemistry Chemical Physics, 2022, 24 (47), pp.28700-28781. ⟨10.1039/D2CP02827A⟩
Article dans une revue hal-03770771 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
Physical Review B, 2022, 105 (23), pp.235123. ⟨10.1103/PhysRevB.105.235123⟩
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
The Journal of Chemical Physics, 2022, 156 (16), pp.164101. ⟨10.1063/5.0088364⟩
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
SciPost Physics, 2022, 12 (3), pp.093. ⟨10.21468/SciPostPhys.12.3.093⟩
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
Journal of Chemical Theory and Computation, 2021, 17 (1), pp.191-200. ⟨10.1021/acs.jctc.0c00896⟩
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.
Frontiers in Chemistry, 2021, 9, pp.746735. ⟨10.3389/fchem.2021.746735⟩
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
Frontiers in Chemistry, 2021, 9, pp.751054. ⟨10.3389/fchem.2021.751054⟩
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
Physical Review Research, 2021, 3 (1), pp.013172. ⟨10.1103/PhysRevResearch.3.013172⟩
Article dans une revue hal-03178936 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
Physical Chemistry Chemical Physics, 2021, 23 (31), pp.16730-16738. ⟨10.1039/D1CP01742J⟩
Article dans une revue hal-03342208 v1

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-02367294 v1

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-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.
Faraday Discussions, 2020, 224 (1-2), pp.483-508. ⟨10.1039/D0FD90026E⟩
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.
Faraday Discussions, 2020, 224, pp.166-200. ⟨10.1039/D0FD90023K⟩
Article dans une revue hal-03525539 v1

Challenges for large scale simulation: general discussion

Jan Gerit Brandenburg , Kieron Burke , Bartolomeo Civalleri , Daniel Cole , Gábor Csányi et al.
Faraday Discussions, 2020, 224, pp.309-332. ⟨10.1039/D0FD90024A⟩
Article dans une revue hal-03961436 v1

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-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
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-01834294 v1

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-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
Journal of Physics: Condensed Matter, 2018, 30 (13), pp.135602. ⟨10.1088/1361-648X/aaaeab⟩
Article dans une revue hal-01743001 v1

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-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
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-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
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-01583906 v1

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-01418336 v1

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-01358881 v1

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-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
Physical Review Letters, 2015, 114, pp.066404. ⟨10.1103/PhysRevLett.114.066404⟩
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.
The Journal of Chemical Physics, 2015, 142 (8), pp.084118. ⟨10.1063/1.4913291⟩
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
New Journal of Physics, 2015, 17 (9), pp.093045. ⟨10.1088/1367-2630/17/9/093045⟩
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.
New Journal of Physics, 2014, 16, pp.113025. ⟨10.1088/1367-2630/16/11/113025⟩
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.
New Journal of Physics, 2014, 16 (11), pp.113025. ⟨10.1088/1367-2630/16/11/119601⟩
Article dans une revue hal-01117926 v1

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-00983461 v1

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-00983353 v1

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-00772707 v1

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-00690287 v1

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-00664609 v1

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-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.
Physical Review Letters, 2011, 107 (16), pp.166401. ⟨10.1103/PhysRevLett.107.166401⟩
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
Journal of Physical Chemistry A, 2010, 114 (18), pp.5838-5845. ⟨10.1021/jp911353n⟩
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
The Journal of Chemical Physics, 2007, 127 (17), ⟨10.1063/1.2780146⟩
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
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-04931983 v1

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-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
Physical Review B, 2006, 73 (7), pp.075115. ⟨10.1103/PhysRevB.73.075115⟩
Article dans une revue hal-04932018 v1

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-04932060 v1

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-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
Journal of Molecular Structure: THEOCHEM, 2003, 636 (1-3), pp.23-37. ⟨10.1016/S0166-1280(03)00349-X⟩
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.
Journal of Physical Chemistry A, 2003, 107 (45), pp.9679-9687. ⟨10.1021/jp034758r⟩
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.
The Journal of Chemical Physics, 2003, 118 (13), pp.5995-6002. ⟨10.1063/1.1556612⟩
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
Chemical Physics Letters, 2003, 372 (1-2), pp.51-58. ⟨10.1016/S0009-2614(03)00356-7⟩
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.
European Journal of Inorganic Chemistry, 2003, 2003 (10), pp.1939-1947. ⟨10.1002/ejic.200200602⟩
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
Journal of Physical Chemistry A, 2002, 106 (39), pp.9114-9119. ⟨10.1021/jp0255334⟩
Article dans une revue hal-04932145 v1

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-04604531 v1

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-04932624 v1
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Correlation and spectroscopy in many-body theories

Pina Romaniello
Physics [physics]. Université Toulouse III - Paul Sabatier, 2017
HDR tel-04932222 v1