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Separation of the local contributions to the transition moments and the polarizability of a molecule in the self-consistent field method

✍ Scribed by V. F. Pedash; A. V. Luzanov


Publisher
SP MAIK Nauka/Interperiodica
Year
1981
Tongue
English
Weight
494 KB
Volume
21
Category
Article
ISSN
0022-4766

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Modification of the local self-consisten
✍ L. G. Gorb; J.-L. Rivail; V. Thery; D. Rinaldi πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 898 KB

The local self-consistent field (LSCF) method which allows full SCF computations on a fragment of very long molecular systems represented by a classical force field has been adapted to the description of nonmetallic crystals. The periodicity of the network is achieved by modifying self-consistently