Sébastien Lebègue∥

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

Tomáš Bučko, Jürgen Häfner, Sébastien Lebègue∥ et al. · The Journal of Physical Chemistry A · 2010 · 1.1K citations

Engineering, Dft-paw Package Vasp, Computational Chemistry +17

Electronic structure of two-dimensional crystals from<i>ab initio</i>theory

Sébastien Lebègue∥, Olle Eriksson · Physical Review B · 2009 · 1K citations

Engineering, Two-dimensional Hexagonal Germanium, Electronic Structure +18

Assessing the performance of recent density functionals for bulk solids

Gábor I. Csonka, John P. Perdew, Adrienn Ruzsinszky et al. · Physical Review B · 2009 · 972 citations · Full text

Engineering, Material Simulation, Computational Chemistry +19

Huge Excitonic Effects in Layered Hexagonal Boron Nitride

B. Arnaud, Sébastien Lebègue∥, Philippe Rabiller et al. · Physical Review Letters · 2006 · 406 citations · Full text

Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation

Sébastien Lebègue∥, Judith Harl, Tim Gould et al. · Physical Review Letters · 2010 · 376 citations · Full text

Engineering, Dispersion, Electronic Structure +19