ISSN:
1432-2234
Keywords:
Two-centre atomic densities
;
One-centre approximation
;
Angular momentum theory
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A new approach to one-centre approximation methods initiated by Mulliken and Ruedenberg in their earlier works has been developed in this paper. Despite the similarity of underlying ideas, the proposal to factorize thes-function product instead of the total density factorization along with a new technical background of the method provide more flexible and practical scheme since large orbital quantum numbers do present no longer the crucial point for extending the approach for compounds with heavy atoms. Both minimal and extended schemes are equally within the scope of the method. The technical links with the nuclear shell model formalism are discussed briefly.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00554314
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