Rotation matrices for real spherical harmonies. direct determination by recursion

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6342-6347

  Ivanic, Joseph ^a   Ruedenberg, Klaus ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; MATHEMATICAL TECHNIQUES; NUMERICAL METHODS;

REAL SPHERICAL HARMONICS; RECURRENCE METHOD; ROTATION MATRICES;

ELECTRONIC STRUCTURE;

EID: 0030124893     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953350u     Document Type: Article

References (12)

1. Wigner, E. Gruppcntheorie und ihre Anwendung auf die Quantenmechanik' der Atomspektren; F. Viwewg: Wiesbaden, Germany, 1931.
2. Weyl, H. Group Theory and Quantum Mechanics; Methuen: 1991.
3. Hammermesh, M. Group Tlieory and its Application to Physical Problems; Addison-Wesley: Reading, MA, 1962; pp 333 ff.
4. Weissbluth, M. Atoms and Molecules; Academic Press: New York, 1978; pp 100 ff.
5. Lynden-Bell, R.; Stone, A. J.; Mol. Simul. 1989, .3 271.
6. See, e.g.. Goldstein, H. Classical Mechanics; Addison-Wesley: Reading, MA, 1980; pp 153 ff, 165 ff, 183.
7. Sherman, R. P.; Grinter, R. J. Mol. Struct. (Theochem) 1986, 132, 127.
8. Stone, A. J. Personal communication
9. In this form, the recurrence relations are given by: Bethe, H. In Handbuch der Physik, Volume 24/1, Quantentheorie; Springer Verlag: Berlin, 1933; Chapter 3, Section 65. They are derived, of course, from the conventional recurrence relations of the unnormalized P.
10. Gaunt, J. A. Trans. R. Soc. A 1929, 228, 151; 195.
11. Condon, E. U.; Shortley, G. H. The Theory of Atomic Spectra; Cambrdige University Press: Cambridge, 1951; p 176.
12. Weissbluth, M. Atoms and Molecules; Academic Press: New York, 1978; p 11.