Method for calculating integrals over Fermi surface orbits
β Scribed by J.F. Janak
- Book ID
- 103370936
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 284 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
Symbolic calculation is applied to the evaluation of molecular integrals over Slater orbitals (STOs). A recurrence scheme is developed for some new auxiliary functions that facilitate this work. Closed expressions are developed independently for use in spot checks. A table of formulas for the indivi
## Abstract The fourβcenter nonplanar electron repulsion integrals over 1__s__ Slaterβtype atomic orbitals are considered by a numerical Fourierβtransform method. It is shown that the highly oscillating integrand appearing in the Fourier inversion formula could be successfully treated by using Tche