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Theoritical study of low-lying electronic states of the CaLi molecule

✍ Scribed by A.R. Allouche; M. Aubert-Frècon

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
445 KB
Volume
222
Category
Article
ISSN
0009-2614

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✦ Synopsis

Results of a theoretical study on the electronic structure of all the molecular states of CaLi dissociating into the six lowest limits Ca+Li are reported. The method used involves effective pseudopotentials for Ca and Li, a configuration interaction calculation for the three valence electrons by the algorithm CIPSI and core polarization potentials for both atoms. Spectroscopic constants have been calculated for bound states, almost all previously unstudied.

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