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Correlation energies in the isoelectronic series of He, Li, Be and Ne

✍ Scribed by Antonio Rizzo; Enrico Clementi; Masahiro Sekiya


Book ID
107735078
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
489 KB
Volume
177
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Accurate nonrelativistic energies for 2P
✍ RenΓ© Barrois; Heinz Kleindienst; Arne LΓΌchow πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 186 KB

With large Hylleraas᎐configuration interaction CI basis sets highly accurate upper bounds for the lowest 2 P o states of the Li isoelectronic series up to Ne are given. The corresponding Hamiltonian H and the operator Ý ٌٌ are transformed into i-j i j nonorthogonal coordinates expressed in interpart

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Highly accurate upper bounds for several 2 P e states of the Li isoelectronic series obtained by extensive Hylleraas-CI calculations are given. The best value for the 2 2 P e state Ε½ 2 . 1 s2 p of Li is y5.2137392 au. The evaluation of the occurring integrals is given 0 explicitly. Additionally, we