Matrix method for the determination of scaling factors for quantum-mechanical force fields

Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

Volumn 94, Issue 3, 2003, Pages 354-356

  Berezin, K V ^a  

^a SARATOV STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ITERATIVE METHODS; MATRIX ALGEBRA; MOLECULAR VIBRATIONS; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING;

QUANTUM-MECHANICAL FORCE FIELDS;

QUANTUM THEORY;

EID: 0042704801     PISSN: 0030400X     EISSN: None     Source Type: Journal    
DOI: 10.1134/1.1563678     Document Type: Article

References (5)

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3. G. H. Golub and C. Reinsch, Numer. Math. 14, 403 (1970).
4. J. Baker, A. A. Jarzecki, and P. Pulay, J. Phys. Chem. 102, 1412 (1988).
5. Yu. N. Panchenko and A. V. Abramenkov, Zh. Fiz. Khim. 73, 1609 (1999).