The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of twoelectron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.
โฆ LIBER โฆ
Convergence of reciprocal-lattice sums: Exact formulas for the Ewald method
โ Scribed by S.B Cox; J.L Fry
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 633 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0021-9991
No coin nor oath required. For personal study only.
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