Heavy-element effect on the splitting of the A(2)Pi state of the LiRg (Rg = Ar, Kr and Xe) complexes
The spin-orbit splittings A(SO)(R) of the A(2)Pi state of LiRg (Rg = Ar, Kr and Xe) complexes have been obtained from the configuration interaction calculations using relativistic effective core potentials and two-component spinors. The results confirm that the mixing between the p orbitals of the lithium atom and the valence np orbitals (and not the Rydberg orbitals) of the rare gas (Rg) atom produces a large A(SO)(R) for the A(2)Pi states at short internuclear distances. The spectroscopic constants for the ground and A states of LiRg complexes are also reported. (C) 2000 Elsevier Science B.V. All rights reserved.
- Publisher
- ELSEVIER SCIENCE BV
- Issue Date
- 2000-08
- Language
- English
- Article Type
- Article
- Keywords
RELATIVISTIC EFFECTIVE POTENTIALS; SPIN-ORBIT OPERATORS; DER-WAALS MOLECULES; LASER SPECTROSCOPY; AB-INITIO; LIAR; TRANSITION; ALKALI; NE
- Citation
CHEMICAL PHYSICS LETTERS, v.325, no.5-6, pp.678 - 682
- ISSN
- 0009-2614
- Appears in Collection
- CH-Journal Papers(저널논문)
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