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J

Jean‐Pierre Flament

universite de lille

28H-index
136Paper Count
2.9KCitation Count
Published Papers 33
Publication Date
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Fast vibrational analysis of molecular systems
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-06-22
err0
PREAI
errPetitjean, Hugo; Giard, Aude; Flament, Jean-Pierre; Berthomieu, Catherine; Berthomieu, Dorothee
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Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-14
err4
errOAAI
errDesmarais, Jacques K.; Boccuni, Alberto; Flament, Jean-Pierre; Kirtman, Bernard; Erba, Alessandro
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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-11
err137
errOAAI
errErba, Alessandro; Desmarais, Jacques K.; Casassa, Silvia; Civalleri, Bartolomeo; Dona, Lorenzo; Bush, Ian J.; Searle, Barry; Maschio, Lorenzo; Edith-Daga, Loredana; Cossard, Alessandro; Ribaldone, Chiara; Ascrizzi, Eleonora; Marana, Naiara L.; Flament, Jean-Pierre; Kirtman, Bernard
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Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-21
err9
errOAAI
errDesmarais, Jacques K.; Erba, Alessandro; Flament, Jean-Pierre; Kirtman, Bernard
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Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-21
err5
errOAAI
errDesmarais, Jacques K.; Erba, Alessandro; Flament, Jean-Pierre; Kirtman, Bernard
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Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-05-27
err23
errOAAI
errDesmarais, Jacques K.; Komorovsky, Stanislav; Flament, Jean-Pierre; Erba, Alessandro
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RETRACTION: Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories (Retraction of Vol 151, art no 074108, 2019)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-16
err0
PREAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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Adiabatic connection in spin-current density functional theory
errPHYSICAL REVIEW B
IF3.7
err2020-12-08
err20
errOAAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects
errPHYSICAL REVIEW B
IF3.7
err2020-06-18
err29
errOAAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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RETRACTED: Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories (Retracted article. See vol. 154, 2021)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-08-16
err7
errOAAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-08-16
err28
errOAAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-09-18
err29
PREAI
errReal, Florent; Vallet, Valerie; Flament, Jean-Pierre; Masella, Michel
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The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: An ab initio study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-07-06
err0
PREAI
errDuflot, Denis; Flament, Jean-Pierre
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Profiling the Active Site of a Copper Enzyme through Its Far-Infrared Fingerprint
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2011-07-12
err8
PREAI
errMarboutin, Laure; Petitjean, Hugo; Xerri, Bertrand; Vita, Nicolas; Dupeyrat, Francois; Flament, Jean-Pierre; Berthomieu, Dorothee; Berthomieu, Catherine
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Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: The example of Y2O3:Bi3+
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-11-16
err23
PREAI
errReal, Florent; Ordejon, Belen; Vallet, Valerie; Flament, Jean-Pierre; Schamps, Joel
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Spin-orbit configuration interaction study of the electronic structure of the 5f2 manifold of U4+ and the 5f manifold of U5+
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-04-17
err15
PREAI
errDanilo, Cecile; Vallet, Valerie; Flament, Jean-Pierre; Wahlgren, Ulf
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An investigation of the accuracy of different DFT functionals on the water exchange reaction in hydrated uranyl(VI) in the ground state and the first excited state
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-02-29
err72
PREAI
errWahlin, Pernilla; Danilo, Cecile; Vallet, Valerie; Real, Florent; Flament, Jean-Pierre; Wahlgren, Ulf
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The 5f16d1 → 5f2 luminescence spectrum of U4+ in Cs2GeF6 crystals -: A quantum chemical study
errJOURNAL OF LUMINESCENCE
IF3.6
err2007-10-01
err15
PREAI
errOrdejon, Belen; Vallet, Valerie; Flament, Jean-Pierre; Seijo, Luis; Barandiaran, Zoila
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Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-09-12
err22
PREAI
errReal, Florent; Vallet, Valerie; Flament, Jean-Pierre; Schamps, Joeel
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Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3:: Comparison of perturbative and variational electron correlation methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-11-06
err11
PREAI
errReal, Florent; Vallet, Valerie; Flament, Jean-Pierre; Schamps, Joel
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Research Directions

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Co-authors
Cooperation Journals
L
Laurent Maron
H-index: 79 · Papers: 2.4K
B
Bartolomeo Civalleri
H-index: 58 · Papers: 245
B
Bernard Kirtman
H-index: 58 · Papers: 398
U
Ulf Wahlgren
H-index: 51 · Papers: 225
L
Luis Seijo
H-index: 43 · Papers: 173
View more