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Gaussian-type bases for the calculation of the interaction energy between neon atoms

✍ Scribed by O. Novaro; F. Yáñez

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
190 KB
Volume
10
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Energy of interaction between two hydrog
Energy of interaction between two hydrogen atoms by the contracted gaussian type functions
✍ M. Urban; T. Lavický 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 404 KB

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