Wave-vector- and frequency-dependent dielectric functions in the hartree-fock-slater approximation
β Scribed by N. E. Brener
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 316 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
## Abstract Molecular orbital calculations are performed for clusters representing the CaF~2~, SrF~2~, and BaF~2~ ionic crystals. The discrete variational method is employed, with the XΞ± approximation for the exchange interaction; a detailed investigation of different models for embedding the clust
## Abstract The reduced local energy __E__~__L__~ of Rothstein and coβworkers is discussed as a criterion for the local accuracy of approximate wave functions. The behavior of __E__~__L__~ for different approximation levels is discussed. It is shown that, for particular classes of wave functions, f