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
Accurate nonrelativistic energies for 2Pe states of the Li isoelectronic series
✍ Scribed by René Barrois; Arne Lüchow; Heinz Kleindienst
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 195 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
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 Ž 2 . 1 s2 p of Li is y5.2137392 au. The evaluation of the occurring integrals is given 0 explicitly. Additionally, we present some expectation values and isotope energies of the Li isoelectronic series.
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