János G. Ángyán

Screened hybrid density functionals applied to solids

Joachim Paier, Martijn Marsman, Kerstin Hummer et al. · The Journal of Chemical Physics · 2006 · 2.4K citations

Fock Exchange, Engineering, Solid-state Chemistry +18

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

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

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

Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids

Tomáš Bučko, Sébastien Lebègue∥, J. Hafner et al. · Physical Review B · 2013 · 367 citations

Engineering, Mechanical Engineering, Computational Chemistry +17