ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The Löwdin basis functions are introduced and their permutation symmetry is studied in detail. A simple relation between the Löwdin basis and the orthogonal basis constructed by means of Young-Yamanouchi units is established. Both analytical and recurrence formulas for the overlap integrals of the Löwdin and some relevant auxiliary functions are derived. The symmetry of the overlap matrix of the Löwdin basis functions is briefly discussed.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560240303