Long range behaviour of the correlation potentials for atomic systems
β Scribed by Jiqiang Chen; M.J. Stott
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 357 KB
- Volume
- 176
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
We analyze the divergent contributions to the Hamiltonian for extended, nonmetallic systems in one dimension, to both the ground-state correlation energy and to the correlated band structure. It is shown that the contribution from the long-range divergent part of the Hamiltonian tends to zero as 1rM
An approximation scheme was developed for the KohnαSham exchangeαcorrelation potential v , making use of a partitioning of v into a long-range screening v and xc x c scr a short-range response v component. For the response part, a model v mod was used, res p res p which represents v as weighted orbi