Potential energy surface discontinuities in local correlation methods

Journal of Chemical Physics

Volumn 121, Issue 2, 2004, Pages 691-696

  Russ, Nicholas J ^a   Crawford, T Daniel ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HETEROLYTIC BOND CLEAVAGES; LOCALIZATION ERRORS; PROPADIENONE; WAVE FUNCTIONS;

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; CORRELATION METHODS; DIMERIZATION; DISSOCIATION; ELECTRONIC STRUCTURE; ERROR ANALYSIS; HYDROCARBONS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

MOLECULAR DYNAMICS;

EID: 3242728680     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1759322     Document Type: Article

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