Hylleraas-type calculations for lithium
✍ Scribed by Grzegorz Pestka; Wiesław Woźnicki
- Book ID
- 103035612
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 341 KB
- Volume
- 255
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The method of superposition of correlated configurations has been used to evaluate the nonrelativistic energies of the 2 2S, 32S, 42S, 22p, 32p, 42p, 32D and 42D states of lithium. The results for 32p, 42p and 42D are the best in the literature. The size of the basis set never exceeds 400 due to a careful optimization of the non-linear parameters. Dipole absorption oscillator strengths and mean lifetimes are also reported.
📜 SIMILAR VOLUMES
## Abstract The ^2^__S__ ground state of lithium iso–electronic sequence is calculated by the use of Hylleraas‐type wave functions. A 92 term one‐spin wave function was used for lithium atom calculations. The energy obtained was −7.478031 a.u. as compared with the previous best value of −7.478025 a
## Hylleraas᎐configuration interaction CI calculations have been carried out with double-linked basis sets for the Be atom. Our best upper bound for the 1 S ground state is E s y14.6673547E . Furthermore, upper bounds for the two lowest 0 h excited 1 S states have been calculated.
In the Hylleraas-CI method, first proposed by Sims and Hagstrom, correlation factors of the type r& are included into the configurations of a CI expansion. The computation of the matrix elements requires the evaluation of different two-, three-, and four-electron integrals. In this article we presen