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
ENG
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
URI
http://hdl.handle.net/10203/75211
Appears in Collection
NE-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
  • Hit : 133
  • Download : 0
  • Cited 0 times in thomson ci
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡClick to seewebofscience_button
⊙ Cited 10 items in WoSClick to see citing articles inrecords_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0