Assessing the Performance of the Diffusion Monte Carlo Method As Applied to the Water Monomer, Dimer, and Hexamer

Journal of Physical Chemistry A

Volumn 119, Issue 24, 2015, Pages 6504-6515

  Mallory, Joel D ^a   Brown, Sandra E ^a   Mandelshtam, Vladimir A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINS; DIMERS; ISOMERS; ISOTOPES; MONOMERS; PLANTS (BOTANY); POPULATION STATISTICS; PRISMS; SYSTEMATIC ERRORS;

BASIN OF ATTRACTION; DIFFUSION MONTE CARLO METHOD; ENERGY DIFFERENCES; GEOMETRIC CONSTRAINT; ISOTOPE EFFECT; ORDERS OF MAGNITUDE; POPULATION SIZES; WATER HEXAMERS;

MONTE CARLO METHODS;

EID: 84935008950     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b02511     Document Type: Article

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