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Double excitations in correlated systems: A many-body approach

Davide Sangalli , Pina Romaniello , Giovanni Onida , Andrea Marini
Journal of Chemical Physics, 2011, 134 (3), pp.034115
Article dans une revue hal-00990119v1

Double excitations in correlated systems: A many–body approach

Davide Sangalli , Pina Romaniello , Giovanni Onida , Andrea Marini
Journal of Chemical Physics, 2011, 134, pp.034115. ⟨10.1063/1.3518705⟩
Article dans une revue hal-00564857v1
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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-03315304v1

Reduced density-matrix functional theory: Correlation and spectroscopy

Stefano Di Sabatino , Arjan Berger , Lucia Reining , Pina Romaniello
Journal of Chemical Physics, 2015, 143 (2), pp.024108. ⟨10.1063/1.4926327⟩
Article dans une revue hal-01191716v1

Double excitations in finite systems

Pina Romaniello , Davide Sangalli , Arjan Berger , Francesco Sottile , Luca G. Molinari , et al.
Journal of Chemical Physics, 2009, 130 (4), pp.044108
Article dans une revue hal-00990148v1

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-01117310v1

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

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

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

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

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

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-03961436v1

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

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

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

The self-energy beyond GW: Local and nonlocal vertex corrections

Pina Romaniello , Steve Guyot , Lucia Reining
Journal of Chemical Physics, 2009, 131 (15), pp.154111
Article dans une revue hal-00990134v1

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

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

On transition rates in surface hopping

José M. Escartín Esteban , Pina Romaniello , L. Stella , Paul-Gerhard Reinhard , Eric Suraud
Journal of Chemical Physics, 2012, 137, pp.234113. ⟨10.1063/1.4770280⟩
Article dans une revue hal-00772707v1
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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-03770771v1

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

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-03448633v1

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
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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-02928385v1
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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-01444894v1

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

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

Photoemission spectral functions from the three-body Green's function

Gabriele Riva , Timothée 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
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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-01222216v1