Anharmonicity of a molecular oscillator

International Journal of Quantum Chemistry

Volumn 99, Issue 3, 2004, Pages 153-160

  Komorowski, Ludwik ^a   Ordon, Piotr ^a,b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b WROC AW UNIVERSITY OF ENVIRONMENTAL AND LIFE SCIENCES   (Poland)

Author keywords

Anharmonicity; DFT; Electron nuclear coupling; Energy derivatives; Normal modes

Indexed keywords

APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); DERIVATIVES; DIFFERENTIAL EQUATIONS; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; OSCILLATORS (ELECTRONIC); PARAMETER ESTIMATION;

ANHARMONICITY; DFT; ELECTRON-NUCLEAR COUPLING; ENERGY DERIVATIVES; NORMAL MODES;

QUANTUM THEORY;

EID: 3843123162     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20130     Document Type: Article

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