Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375823 | Chemical Physics | 2009 | 5 Pages |
Abstract
Potential energy curves of the states X 2Σ+, B (1)2Σ+ and A (1)2Πof the NaHe molecule have been calculated accurately in a large range of internuclear distances R from SA-CASSCF-MRCI calculations, using molecular orbitals expanded in cc-pV5Z basis sets. Transition dipole moments have also been calculated for the X-B, X-A and A-B transitions, in the same range of R. Their long-range behaviour have been considered.
Related Topics
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Authors
A.R. Allouche, K. Alioua, M. Bouledroua, M. Aubert-Frécon,