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
On the relativity of short- and long-range effects in calculations for periodic systems
β Scribed by Lucian Piela; Leszek Z. Stolarczyk
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 279 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Short-and long-range effects m calculations for mfimte pcrlodlc systems (crystals) are rchtlvc. because cholcc of the umt cell LS not unquc. This choxe can be of prlmvy computational Importance when performmg calcuhtlons wIthin the Imitcncighbour approulmrtlon.
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