The quasi-independent curvilinear coordinate approximation for geometry optimization

Journal of Chemical Physics

Volumn 121, Issue 7, 2004, Pages 2877-2885

  Németh, Károly ^a   Challacombe, Matt ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC COUPLING EFFECTS; MOLECULAR ENERGIES; MOLECULAR GEOMETRY OPTIMIZATION; QUASI INDEPENDENT CURVILINEAR COORDINATE APPROXIMATION (QUICCA);

ALGORITHMS; COMPUTATIONAL GEOMETRY; DEGREES OF FREEDOM (MECHANICS); EIGENVALUES AND EIGENFUNCTIONS; HYDROGEN BONDS; LEAST SQUARES APPROXIMATIONS; MATRIX ALGEBRA; OPTIMIZATION; PROBLEM SOLVING;

MOLECULAR STRUCTURE;

EID: 4344705637     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1771636     Document Type: Article

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