Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface

Journal of Chemical Physics

Volumn 130, Issue 2, 2009, Pages

  Nakayama, Akira ^a   Seki, Nanami ^a   Taketsugu, Tetsuya ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MONTE CARLO METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA;

AB INITIO; COMPUTATIONAL COSTS; CONFIGURATION SPACES; EFFICIENT SAMPLING; ENERGY SURFACES; LEAST SQUARES (LS); MONTE CARLO (MC); MONTE CARLO CALCULATIONS; MONTE CARLO SIMULATION (MCS); PATH INTEGRALS; PROTONATED; WATER CLUSTERS; WATER MOLECULES;

MOSFET DEVICES;

EID: 58449123563     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3055910     Document Type: Article

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