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List of works by Jean-Pierre Flament

Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3.

scientific article published in September 2007

Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods

scientific article published in November 2006

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

scientific article published on 01 April 2008

An ab initio theoretical study of the electronic structure of UO2(+) and [UO2(CO3)3]5-.

scientific article published on 30 January 2009

Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: The example of Y[sub 2]O[sub 3]:Bi[sup 3+]

Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent

scientific article published on 11 November 2010

Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems

scientific article published in September 2013

Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory

scientific article published on 01 August 2019

Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories

scientific article published on 01 August 2019

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