Accurate nonrelativistic expectation values for H+2
β Scribed by J.F. Babb; J. Shertzer
- Book ID
- 107735420
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 325 KB
- Volume
- 189
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
With large Hylleraasαconfiguration 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 Γ ΩΩ are transformed into i-j i j nonorthogonal coordinates expressed in interpart
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
## Systematic ucnds in Lhe variation of <ra) (a z 2) with nuclear charge 2 are brought OUL These u-ends are explained wilhin the stalisucal model modified by the torrezx long-range behaviour of the electron density. The suggesled model is used to estimate approximate correlation and relativishc co