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A perturbation treatment for two-electron atomic systems with correlation in zero order

✍ Scribed by K. Jankowski

Book ID
104793897
Publisher
Springer
Year
1969
Tongue
English
Weight
282 KB
Volume
13
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Configuration interaction combined with
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✍ F. Grein; T.J. Tseng πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 405 KB

Variational calculations were oerformed on the ground state of He and Oe. The confirmration interaction wavefunctions containing s, p\_ d I&l f orbitals nre~nultiplied by the correlation factor (is+ '~~12). The best energies obtained are -2.903Gl and -59.1562 au. respectively. The s and p energy imp

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First-Order perturbation treatment of the short-range repulsion in a system of many closed-shell atoms or molecules
✍ BogumiΕ‚ Jeziorski; Marek Bulski; Lucjan Piela πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 742 KB

## Abstract Assuming a determinantal form for the wave‐functions of free molecules, explicit formula for the first‐order interaction energy of many closed‐shell molecules has been derived. Provided that the determinants describing the free molecules are constructed from the Hartree‐Fock orbitals, t