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Perturbation theory and derivatives of matrix eigensystems

✍ Scribed by King-wah Eric Chu


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
322 KB
Volume
1
Category
Article
ISSN
0893-9659

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g-Matrix Based on Configuration Interact
✍ Wenjie Li; Maochun Hong; Rong Cao; Beisheng Kang; Hanqin Liu πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 83 KB

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 .