Jean‐Pierre Flament

Centre National de la Recherche Scientifique — France

Physics and Astronomy · Physical Sciences

28h-index2.8kcitations136works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(87), Spectroscopy and Quantum Chemical Studies(31), Molecular Spectroscopy and Structure(20), Molecular Junctions and Nanostructures(18), Spectroscopy and Laser Applications(14)

Publications136 total

Fast vibrational analysis of molecular systems
Journal of Computational Chemistry·2024Open Access
Structural relaxation of materials with spin-orbit coupling: Analytical forces in spin-current DFT
Physical review. B./Physical review. B·2023· 7 citedOpen Access
Structural Relaxation of Materials with Spin-Orbit Coupling: Analytical Forces in Spin-Current DFT
arXiv (Cornell University)·2023· 1 citedOpen Access
Perturbation Theory Treatment of Spin–Orbit Coupling. III: Coupled Perturbed Method for Solids
Journal of Chemical Theory and Computation·2023· 5 cited
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
arXiv (Cornell University)·2023Open Access
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
Journal of Chemical Theory and Computation·2022· 296 citedOpen Access
Perturbation Theory Treatment of Spin–Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
Journal of Chemical Theory and Computation·2021· 5 citedOpen Access
Perturbation Theory Treatment of Spin–Orbit Coupling II: A Coupled Perturbed Kohn–Sham Method
Journal of Chemical Theory and Computation·2021· 12 citedOpen Access
Spin–orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
The Journal of Chemical Physics·2021· 39 citedOpen Access
Retraction: “Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories” [J. Chem. Phys. 151, 074108 (2019)]
The Journal of Chemical Physics·2021
Adiabatic connection in spin-current density functional theory
Physical review. B./Physical review. B·2020· 26 citedOpen Access
Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects
Physical review. B./Physical review. B·2020· 39 citedOpen Access
Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
The Journal of Chemical Physics·2019· 33 citedOpen Access
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
The Journal of Chemical Physics·2019· 9 citedOpen Access
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
The Journal of Physical Chemistry Letters·2019· 25 cited
Mid‐ and Far‐Infrared Marker Bands of the Metal Coordination Sites of the Histidine Side Chains in the Protein Cu,Zn‐Superoxide Dismutase
European Journal of Inorganic Chemistry·2014· 11 cited
Etude de la photodissociation de molécules d’intérêt atmosphérique adsorbées à la surface de la glace : application à Cl<sub>2</sub>
HAL (Le Centre pour la Communication Scientifique Directe)·2013
Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems
The Journal of Chemical Physics·2013· 32 cited
The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: An <i>ab initio</i> study
The Journal of Chemical Physics·2012
Profiling the Active Site of a Copper Enzyme through Its Far‐Infrared Fingerprint
Angewandte Chemie·2011· 2 cited
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Frequent Co-authors

Valérie Vallet(9), Denis Duflot(7), Florent Réal(7), M.-J. Hubin-Frańskin(7), Alessandro Erba(6), Jacques K. Desmarais(6), M. Tadjeddine(6), Michel Masella(5), G. Berthier(5), J. Delwiche(4), Philippe C. Hiberty(3), J.M. Robbe(3), Cécile Danilo(3), Ulf Wahlgren(3), Guy Bouchoux(3), J. Schamps(3), Christian Teichteil(2), Cécile Hannay(2), Gilles Ohanessian(2), Sason Shaik(2)