A diffusion quantum Monte Carlo study of geometries and harmonic frequencies of molecules

Journal of Chemical Physics

Volumn 120, Issue 1, 2004, Pages 14-17

  Lu, Shih I ^a  

^a FOOYIN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL GEOMETRY; COMPUTER SIMULATION; DIFFUSION; FUNCTIONS; GROUND STATE; HARMONIC GENERATION; MATRIX ALGEBRA; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NATURAL FREQUENCIES; OPTIMIZATION; POTENTIAL ENERGY; QUANTUM THEORY; STATISTICAL METHODS; THEOREM PROVING;

HARMONIC FREQUENCIES; MOLECULAR GEOMETRIES; QUANTUM CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 0942266895     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1630022     Document Type: Article

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