Article ID Journal Published Year Pages File Type
5375823 Chemical Physics 2009 5 Pages PDF
Abstract
Potential energy curves of the states X 2Σ+, B (1)2Σ+ and A (1)2Π of 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
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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