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Chemical Science|June 14, 2018
The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific featuresIvan Duchemin, Ciro A Guido, Denis Jacquemin, et al.Journal of Chemical Theory and Computation|October 8, 2024
From Many-Body <i>Ab Initio</i> to Effective Excitonic Models: A Versatile Mapping Approach Including Environmental Embedding EffectsMauricio Rodriguez-Mayorga, Xavier Blase, Ivan Duchemin, et al.The Journal of Physical Chemistry Letters|August 14, 2020
The Bethe-Salpeter Equation Formalism: From Physics to ChemistryXavier Blase, Ivan Duchemin, Denis Jacquemin, et al.The Journal of Physical Chemistry Letters|July 9, 2016
Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular SolidsJing Li, Gabriele D'Avino, Ivan Duchemin, et al.Physical Review Letters|May 6, 2017
Helium Atom Excitations by the GW and Bethe-Salpeter Many-Body FormalismJing Li, Markus Holzmann, Ivan Duchemin, et al.Physical Chemistry Chemical Physics : PCCP|March 8, 2023
Excited state potential energy surfaces of <i>N</i>-phenylpyrrole upon twisting: reference values and comparison between BSE/<i>GW</i> and TD-DFTIryna Knysh, Kelvine Letellier, Ivan Duchemin, et al.The Journal of Chemical Physics|April 11, 2024
Assessing the accuracy of TD-DFT excited-state geometries through optimal tuning with GW energy levelsIryna Knysh, Denez Raimbault, Ivan Duchemin, et al.The Journal of Physical Chemistry Letters|April 17, 2020
Pros and Cons of the Bethe-Salpeter Formalism for Ground-State EnergiesPierre-François Loos, Anthony Scemama, Ivan Duchemin, et al.The Journal of Chemical Physics|July 11, 2023
Lagrangian Z-vector approach to Bethe-Salpeter analytic gradients: Assessing approximationsJ Villalobos-Castro, Iryna Knysh, Denis Jacquemin, et al.The Journal of Chemical Physics|January 24, 2016
GW and Bethe-Salpeter study of small water clustersXavier Blase, Paul Boulanger, Fabien Bruneval, et al.Pageof 6