We express the hydrogen-type orbitals as integral transforms of Gaussian functions. The topographic features of the analytical expressions for the weight functions provide ways for the design of basis sets.
Approximation of d- and f-type orbitals by spherical gaussian functions
β Scribed by F. Driessler; R. Ahlrichs
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 378 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0009-2614
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