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On the application of hierarchical orthogonality restrictions to spin-coupled wave functions

✍ Scribed by S. Wilson

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 207 KB
Volume: 74
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)74:2<135::aid-qua10>3.0.co;2-i

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✦ Synopsis

The use of hierarchical orthogonality restrictions in handling the nonorthogonality problem which arises when spin-coupled wave functions are employed to describe the electronic structure of extended molecules is investigated.

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