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g-Matrix Based on Configuration Interaction and Stone's Perturbation Theory

✍ Scribed by Wenjie Li; Maochun Hong; Rong Cao; Beisheng Kang; Hanqin Liu

Publisher: Elsevier Science
Year: 1999
Tongue: English
Weight: 83 KB
Volume: 138
Category: Article
ISSN: 1090-7807
DOI: 10.1006/jmre.1999.1706

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✦ Synopsis

Stone's formula, which has usually been applied to the calculation of the g-matrix, is based on a single-configuration treatment. Here a limited configuration interaction is included to obtain the expressions of the principal g values for an orbitally nondegenerate molecule with spin S ‫؍‬ 1 2 .

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