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Computer Physics Communications

Volumn 182, Issue 8, 2011, Pages 1657-1662

Noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

(3) Nabok, Dmitrii a Puschnig, Peter a Ambrosch Draxl, Claudia a

a UNIVERSITY OF LEOBEN (Austria)

Author keywords

Density functional theory; Monte Carlo integration; Van der Waals interactions; vdW DF

Indexed keywords

COMPLEX STRUCTURE; DENSITY FUNCTIONALS; EFFICIENT IMPLEMENTATION; EMPIRICAL PARAMETERS; METAL SURFACES; MONTE CARLO; MONTE CARLO INTEGRATION; NON-LOCAL INTERACTIONS; ORGANIC MOLECULES; PHYSISORBED; SURFACE SYSTEMS; SYSTEM SIZE; VAN DER WAALS; VAN DER WAALS INTERACTIONS; VDW-DF;

DIMERS; INTEGRATION; MOLECULAR CRYSTALS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 79957855711 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/j.cpc.2011.04.015 Document Type: Article

Times cited : (22)

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