Homeier, Herbert H. H. and Steinborn, E. Otto (1996) Some properties of the coupling coefficients of real spherical harmonics and their relation to Gaunt coefficients. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 368. pp. 31-37. ISSN 0166-1280
Full text not available from this repository.Abstract
Spherical harmonics are of considerable importance for computations involving basis functions corresponding to large values of the angular momentum quantum number l. Their use allows efficient coding of programs involving such basis functions because the formulae of the coupling coefficients are simple. The choice of real spherical harmonics allows one to avoid the use of complex quantities in computer programs that increase storage and CPU time requirements. In this paper, certain properties of the coupling coefficients for real spherical harmonics are derived that are necessary for an efficient computation of coupling terms.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | B-FUNCTIONS; PROGRAMS; INTEGRALS; Ab initio program; basis function; coupling coefficient; gaunt coefficient; selection rule; symmetry relation |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 22 Jun 2023 10:25 |
| Last Modified: | 22 Jun 2023 10:25 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51471 |
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