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Sébastien Lebègue

4 results in Authors: Sébastien Lebègue

Theoretical and Computational Chemistry

Benchmarking Several van der Waals Dispersion Approaches for the Description of Intermolecular Interactions

Julien Claudot, Won June Kim, Anant Dixit, Hyungjun Kim, Tim Gould, Dario Rocca, Sébastien Lebègue

Version 1 posted 01 February 2018

1,032

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uMBD: A Materials-Ready Dispersion Correction that Uniformly Treats Metallic, Ionic, Covalent, and van der Waals Bonding

Minho Kim, won june kim, Tim Gould, Eok Kyun Lee, Sébastien Lebègue, Hyungjun Kim

Version 2 posted 11 September 2019

1,165

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Theoretical and Computational Chemistry

Coupled cluster finite temperature simulations of periodic materials via machine learning

Basile Herzog, Alejandro Gallo, Felix Hummel, Michael Badawi, Tomáš Bučko, Sébastien Lebègue, Andreas Grüneis, Dario Rocca

Version 1 posted 10 April 2023

443

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Physical Chemistry

Red emissive 1D Copper(I) Thiolates vs. green emissive 2D Copper(I) Halide Thiolates displaying second harmonic generation and two-photon absorption processes

Saly Hawila, Buqin Xu, Florian Massuyeau, Romain Gautier, Nathalie Guillou, Alexandra Fateeva, Sébastien Lebegue, Inhwan Oh, Won June Kim, Gilles Ledoux, Miguel Monge, Adel Mesbah, Aude Demessence

Version 1 posted 17 February 2025

117

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