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Theoretical electronic structure of the lowest-lying states of the LaF molecule

✍ Scribed by Fahs, H.; Allouche, A. R.; Korek, M.; Aubert-Frécon, M.

Book ID
115514110
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
323 KB
Volume
117
Category
Article
ISSN
0021-9606

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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-Frécon 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 161 KB

CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2Sþ1 K ðþÞ (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=ÀÞ (including spin-orbit effects) have been calculated using a semi-empirical