Multicenter electron-repulsion integrals are calculated using auxiliary functions and two kinds of translation formulas for Slater-type orbitals (STOs) obtained from the expansion of STOs, in terms of exponential-type orbitals at a displaced center, that form complete orthonormal sets and are repres
General Formulas for the Slater-Koster Tables
✍ Scribed by J. Kollár; B. Ujfalussy
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 71 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0021-9991
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