Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
8 (1974), S. 83-89
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:
It is shown that the turn-over rule which is used to simplify matrix elements between spin-projected Slater determinants may also be used to simplify formation of matrix elements between any orthonormal set of spin-coupled Slater determinants. The coefficients for the spin-coupling may then be chosen freely to reduce the number of important configurations in the secular equation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560080109
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