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Open-shell calculation on molecules with icosahedral symmetry

✍ Scribed by Gregori Klimko; Michael Mestechkin; Gennadi Whyman


Publisher
Springer
Year
1991
Tongue
English
Weight
354 KB
Volume
2
Category
Article
ISSN
1040-0400

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πŸ“œ SIMILAR VOLUMES


Unified coupling operator for β€˜non-Rooth
✍ Victor A. Kuprievich πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 526 KB

The self-consistency approach for the calculation of open-shell states of high-symmetry molecules within the symmetryrestricted Hartree-Fock method is presented. The approach is applicable for terms of any type and allows the use of an arbitrary set of energy-integral coupling coefficients satisfyin