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Calculation for the complex NO+...N2in the semi-empirical approximation with allowance for configurational interaction

✍ Scribed by S. G. Gagarin; I. A. Lygina


Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
310 KB
Volume
20
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES


Non-empirical approximate calculations f
✍ J.L. Koster; P.J.A. Ruttink πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 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.