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The symmetrized basis function method for SU(2) and its application to the total spin states of many-electron systems (1990)

Ding, Peizhu ; Wang, Yi ; Mu, Yingkui

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 38 (1990), S. 41-53

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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: In this paper, the symmetrized basis function method is extended and used for the classification of the total spin states of many-electron systems. The reduction matrix, which is expressed as a series of products and direct products of matrices is derived. It is very advantageous that the method can be completed by computer. As an example, the reduction matrix for a 5-electron system calculated by IBM PC computer and the classification of the total spin states is presented.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560380105

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