It was found, that contracted gaussian functions with scaled esponents lead to good binding energy curves of the hydrqen molecuIc and thnt the scaling parameters of the esponer?ts of gaussixn fultrtions are very similar to the scaling puameters of the Slnter orbitals, mainly for s-type functions. A
Gaussian orbitals in calculations of the second-order corrections to the interaction energy of two hydrogen atoms
✍ Scribed by G. Chałasiński; W. Kołos; B. Petelenz; L. Piela
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 299 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0009-2614
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