Theoretical electronic structure of the
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F. Taher-Mansour; A.R. Allouche; M. Aubert-FrΓ©con
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Article
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2003
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Elsevier Science
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English
β 161 KB
CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2SΓΎ1 K ðþà (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=ΓΓ (including spin-orbit effects) have been calculated using a semi-empirical