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.
Density matrix and wannier functions in terms of localized orbitals
β Scribed by W. Andreoni; G. Grosso; G. Pastori Parravicini
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 296 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0038-1098
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