Evaluation of fourier transform of two-center charge distribution for arbitrary slater-type orbitals
β Scribed by Carla Guidotti; Giovanni P. Arrighini; Francis Marinelli
- Publisher
- Springer
- Year
- 1979
- Tongue
- English
- Weight
- 380 KB
- Volume
- 53
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
## Abstract The strategy for the evaluation of twoβcenter overlap and Coulomb integrals is illustrated by using computerβgenerated formulas produced from 1s orbitals. There is no loss in generality as these formulas have the same structure for higher quantum numbers. For small parameter values, sin
Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary multielectron operator are expressed in terms of the overlap integrals with t