Diffusion Monte Carlo studies of MB-pol (H2O)2-6 and (D2O)2-6 clusters: Structures and binding energies

Journal of Chemical Physics

Volumn 145, Issue 6, 2016, Pages

  Mallory, Joel D ^a   Mandelshtam, Vladimir A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; DIMERS; GEOMETRY; ISOMERS; ISOTOPES; MONTE CARLO METHODS; POTENTIAL ENERGY; PRISMS; QUANTUM CHEMISTRY;

CAGE STRUCTURES; DIFFUSION MONTE CARLO; DIFFUSION MONTE CARLO METHOD; GLOBAL MINIMA; GROUND-STATE ENERGIES; ISOTOPE SUBSTITUTION; SPATIAL CORRELATION FUNCTIONS; WEIGHTING APPROACHES;

GROUND STATE;

EID: 84982244644     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4960610     Document Type: Article

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