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Spin-coupled wave functions for atoms and molecules

โœ Scribed by J. Gerratt; W. N. Lipscomb

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
124 KB
Volume
74
Category
Article
ISSN
0020-7608

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โœฆ Synopsis

xpressions are derived for matrix elements of Et he Hamiltonian operator for spin-coupled wave functions in molecular systems having an even number of electrons. Orthogonality of spatial orbitals is not assumed, and the coupling scheme can be specified at will. Relations to other methods are noted briefly.

An electronic wave function of the general form N N '

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