Intermolecular potential energy surfaces and spectra of Ne-HCN complex from ab initio calculations

Journal of Chemical Physics

Volumn 114, Issue 2, 2001, Pages 764-779

  Murdachaew, Garold ^a   Misquitta, Alston J ^a   Bukowski, Robert ^a   Szalewicz, Krzysztof ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION THEORY; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; OPTIMIZATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBLEM SOLVING; SENSITIVITY ANALYSIS; SPECTRUM ANALYSIS; VAN DER WAALS FORCES;

AB INITIO CALCULATIONS; INTERMOLECULAR POTENTIAL ENERGY SURFACES; ROVIBRATIONAL ENERGY LEVELS; SYMMETRY-ADAPTED PERTURBATION THEORY (SAPT);

DIMERS;

EID: 0035128147     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1331101     Document Type: Article

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