Communication: Energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water

Journal of Chemical Physics

Volumn 138, Issue 22, 2013, Pages

  Alfe D ^a   Bartok A P ^b   Csanyi G ^b   Gillan, M J ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONDENSED PHASE; COUPLED-CLUSTER CALCULATIONS; DENSITY FUNCTIONAL THEORIES (DFT); ENERGY BENCHMARKING; MOLECULAR SYSTEMS; NON-COVALENT BONDINGS; QUANTUM MONTE CARLO; THERMAL-EQUILIBRIUM;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ERRORS;

LIQUIDS;

EID: 84879081294     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4810882     Document Type: Article

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