Orbital population analysis and an approximate mo method
โ Scribed by H. Basch
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 578 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The implications of several approximate plans of partitioning the overlap population as applied to simple molecules in connection with different computational SCCC hl0 (self-consistent in charge and configuration) procedures are discussed.
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Spin-orbit coupling in platinum-containing species can be treated via a one-electron spin-orbit operator and a single scaling parameter Zcff(Pt) in conjunction with an effective core potential for the description of scalar relativistic effects. Our calibration calculations cover the five low-lying e
An approximate method is proposed for the analysis of unidirectional. Filamentary composite materials having slit notches perpendicular to the fibers and subjected to tension parallel to the fibers. The approach is based on an engineering model which incorporates important effects of material hetero