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Coulomb interaction energy including overlap effects for the ground states of LiNa and Na2

✍ Scribed by B. Bussery; Y. Achkar; M. Aubert-Frécon

Book ID
107734590
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
368 KB
Volume
154
Category
Article
ISSN
0009-2614

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Non-empirical approximate calculations for the ground states of H2 and H3 including complete configuration interaction
✍ J.L. Koster; P.J.A. Ruttink 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 261 KB

Calculations are reported for the ground states of H2 and H3 in which the original atomic orbital basis is tranc formed to a symmetricaliy orthonormal atomic orbital basis. Complete configuration interaction is carried out and the results arc shown to be in good ageement with ab initio calculations.