Ground-state properties of the water molecule by reptation quantum Monte Carlo

Journal of Molecular Structure: THEOCHEM

Volumn 961, Issue 1-3, 2010, Pages 29-34

  Oblinsky, Daniel G ^a   Yuen, Wai Kong ^a   Rothstein, Stuart M ^a  

^a BROCK UNIVERSITY   (Canada)

Author keywords

Electron correlation; Exchange node bias; Ground state water molecule; Langevin diffusion; Metropolis Hastings; Reptation quantum Monte Carlo

Indexed keywords

EID: 78149415850     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.08.040     Document Type: Article

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