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:
A practical algorithm is described for generating a set of symmetry- and spin-adapted antisymmetrized products of molecular orbitals (SAAPs) which form an orthogonal basis for a full active configuration space. The spin-adaptation is completely general. The space-symmetry adaptation is accomplished for the groups C∞v and D∞v.
Additional Material:
4 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560310320
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