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Journal of Chemical Theory and Computation|October 7, 2025
GW+2SOSEX Self-Energy Made Positive SemidefiniteFabien Bruneval, Arno Förster, Yaroslav PavlyukhJournal of Chemical Theory and Computation|November 22, 2015
Benchmarking the Starting Points of the GW Approximation for MoleculesFabien Bruneval, Miguel A L MarquesPhysical Review Letters|February 11, 2022
Ab Initio Prediction of a Negative Barkas Coefficient for Slow Protons and Antiprotons in LiFXixi Qi, Fabien Bruneval, Ivan MaliyovThe Journal of Physical Chemistry. B|October 6, 2007
Molecular dynamics study of the solvation of calcium carbonate in waterFabien Bruneval, Davide Donadio, Michele ParrinelloThe Journal of Chemical Physics|March 3, 2011
Design of effective kernels for spectroscopy and molecular transport: time-dependent current-density-functional theoryMatteo GattiThe Journal of Physical Chemistry. B|January 24, 2018
Optical Properties of Saturated and Unsaturated Carbonyl Defects in PolyethyleneGuido Roma, Fabien Bruneval, Layla Martin-SamosThe Journal of Chemical Physics|April 22, 2006
Beyond time-dependent exact exchange: the need for long-range correlationFabien Bruneval, Francesco Sottile, Valerio Olevano, et al.Journal of Chemical Theory and Computation|April 8, 2017
Benchmarking the GW Approximation and Bethe-Salpeter Equation for Groups IB and IIB Atoms and MonoxidesLinda Hung, Fabien Bruneval, Kopinjol Baishya, et al.Frontiers in Chemistry|January 10, 2022
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of MoleculesFabien Bruneval, Nike Dattani, Michiel J van SettenThe Journal of Chemical Physics|July 3, 2015
A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic moleculesFabien Bruneval, Samia M Hamed, Jeffrey B NeatonPageof 10