Electronic Resource
Springer
Theoretical chemistry accounts
49 (1978), S. 199-210
ISSN:
1432-2234
Keywords:
Symmetry adapted orbitals
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The overlap matrix of symmetric molecules is diagonalized for arbitrary orbitals as far as this is possible by group theoretical methods. The remaining invariant matrix elements are expressed in coordinate and numeration independent way by “physical” orbital factors and purely geometric factors arising from group algebra only.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00550031
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