Ab initio three-body interactions for water. I. Potential and structure of water trimer

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4386-4403

  Mas, Eric M ^a,b   Bukowski, Robert ^a   Szalewicz, Krzysztof ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES; WATER;

DENSITY FUNCTIONAL THEORY; HARTREE-FOCK METHOD; NONADDITIVITY; SYMMETRY-ADAPTED PERTURBATION THEORY; THREE-BODY INTERACTION; WATER TRIMER;

MOLECULAR DYNAMICS;

EID: 0037426223     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1542871     Document Type: Article

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