The effect of orbital relaxation in medium and high-Z average-atom calculations
โ Scribed by S.J. Rose
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 391 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0022-4073
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๐ SIMILAR VOLUMES
The orbital behavior of both the singlet and triplet Rydberg series for lsns configurations of the He atom has been investigated using one-and two-configuration Hartree-Fock wave functions. The core orbital within the triplet series changes negligibly; however, a contract trend is noticeable as the
Self-consistent-field (SCF) calculations for a series of Rydberg states (ls2ns)2S of the Li atom are performed using the generalized Brillouin theorem (GBT) method. The calculated energy is a proper upper bound to the excited state energy. The SCF term values of the Rydberg states are almost the sam
Scvcral cuamplrs UC presented IO show that esllmarcd thud-order MgUcr-Plcwt (hlP3) relative cncrgics obtained horn schcmcs which assume addwwty of corrclz~t~on and poluization function &ccts arc kcly lo pro&k lhc most rcbblc energy compznsons III cxcs whrrc full MP3 c&xdations wtlh polvizstlon bssls