Geometry optimization in density functional methods

Journal of Computational Chemistry

Volumn 25, Issue 9, 2004, Pages 1109-1116

  Reveles, J Ulises ^a   Köster, Andreas M ^a  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

deMon; Density functional methods; Geometry optimization

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; MOLECULAR DYNAMICS; OPTIMIZATION; QUANTUM THEORY;

CARTESIAN GEOMETRY; DEMON; DENSITY FUNCTIONAL METHODS; GEOMETRY OPTIMIZATION;

PROBABILITY DENSITY FUNCTION;

EID: 2942527142     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20034     Document Type: Article

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