Gradient-based direct normal-mode analysis

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Kaledin, Alexey L ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARBITRARY VECTORS; HARMONIC FORCE; HESSIAN OPERATOR; NORMAL-MODE ANALYSIS;

COMPUTATIONAL METHODS; COMPUTER SIMULATION; DIFFERENTIATION (CALCULUS); EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; FOURIER TRANSFORMS; ITERATIVE METHODS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; VECTORS;

MOLECULAR VIBRATIONS;

EID: 18844419737     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897376     Document Type: Article

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