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Theoretical study of the lowest electronic states of CaH and CaH+ molecules

✍ Scribed by A. Boutalib; J.P. Daudey; M. El Mouhtadi

Book ID
107942682
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
752 KB
Volume
167
Category
Article
ISSN
0301-0104

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Theoretical electronic structure of the
Theoretical electronic structure of the lowest-lying states of the LaI molecule
✍ F. Taher-Mansour; A.R. Allouche; M. Aubert-FrΓ©con πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 161 KB

CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2SΓΎ1 K ðþÞ (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=Γ€Γž (including spin-orbit effects) have been calculated using a semi-empirical