Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
11 (1977), S. 393-398
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 relations between the Waller-Hartree spin-free method and the symmetric group theory are given. It is shown that the Gallup method is a special case of ours with S = M. Furthermore, all the irreducible representation matrices and other matrices needed are written explicitly in terms of Sanibel coefficients which makes the method more useful. However, it was shown that the cases with S ≠ M for the spin-free pure spin states might be beyond the power of the symmetric group theory.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560110303
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