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A new computer approach to the modeling of atoms, ions and molecules: Part I — Hydrogen

✍ Scribed by Donald Greenspan


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
597 KB
Volume
7
Category
Article
ISSN
0377-0427

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The system of two hydrogen atoms in a 1s
✍ Erminio Lombardi; Carla Almirante; Laurens Jansen 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 520 KB

The cncrgy of interaction be!ween two hydrogen atoms in the singlet state is calculared as a function of their separation R by a variational method with 1s Gaussian functions for the electrons on the two atoms. The total cncrgy of the systcm is minimized, at each R, with respect to the Gaussian para