Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections.
Bučko
Tomáš
T
Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská Dolina, SK-84215 Bratislava, Slovakia. tomas.bucko@univie.ac.at
Hafner
Jürgen
J
Lebègue
Sébastien
S
Ángyán
János G
JG