Quaternion formulation of diffusion quantum Monte Carlo for the rotation of rigid molecules in clusters

Journal of Chemical Physics

Volumn 113, Issue 13, 2000, Pages 5193-5202

  Benoit, David M ^a   Clary, David C ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BENZENE; DIMERS; DISSOCIATION; MONOMERS; MONTE CARLO METHODS; QUANTUM THEORY; WATER;

MOLECULAR CLUSTERS; QUATERNION FORMULATION;

MOLECULAR DYNAMICS;

EID: 0034301555     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288788     Document Type: Article

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