Dissociation energy of the water dimer from quantum Monte Carlo calculations

Journal of Chemical Physics

Volumn 127, Issue 12, 2007, Pages

  Gurtubay, I G ^a,b   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DIMERS; DISSOCIATION; ELECTRONIC STATES; GROUND STATE; MONTE CARLO METHODS;

DIFFUSION QUANTUM MONTE CARLO (DMC); ELECTRONIC DISSOCIATION ENERGY; ELECTRONIC GROUND STATE;

QUANTUM THEORY;

WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; DIMERIZATION; ELECTRON; MONTE CARLO METHOD; QUANTUM THEORY;

DIMERIZATION; ELECTRONS; MODELS, MOLECULAR; MONTE CARLO METHOD; QUANTUM THEORY; WATER;

EID: 34848892965     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2770711     Document Type: Article

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