Double-well of the C-2 Sigma(+) state of LiAr

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The X-2 Sigma(+), A(2) Pi, B-2 Sigma(+) C-2 Sigma(+) states of LiAr and the ground state of LiAr+ are calculated by configuration interaction methods. The existence of a double potential well is found for the C-2 Sigma(+) state. The origin of the double well is surmised to lie in the existence of a nodal plane separating two radial regions of the electron density in the Rydberg atomic orbital. The spectroscopic constants and the transition properties between the calculated states are also reported. (C) 1997 Elsevier Science B.V.
Publisher
ELSEVIER SCIENCE BV
Issue Date
1997-10
Language
English
Article Type
Article
Keywords

PSEUDOPOTENTIAL CALCULATIONS; LASER SPECTROSCOPY; ELECTRONIC STATES; HIGH-RESOLUTION; TRANSITION; POTENTIALS; INCLUSION; COMPLEX

Citation

CHEMICAL PHYSICS LETTERS, v.277, no.1-3, pp.208 - 214

ISSN
0009-2614
DOI
10.1016/S0009-2614(97)00887-7
URI
http://hdl.handle.net/10203/74107
Appears in Collection
CH-Journal Papers(저널논문)
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