Approximate wave functions for excited states: Energies and dipole moments of the 2pσ state of HeH+2
✍ Scribed by M. Cohen; Brenda H. Dorrell; R. P. Mceachran
- Publisher
- Springer
- Year
- 1968
- Tongue
- English
- Weight
- 379 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1432-2234
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The potential energy curves, dipole, quadrupole and octopole moments and dipole polarisabilities have been calculated at CASSCF level using a [ 8s6p3d] basis for the ground X 2~ + state of CO + as a function of internuclear distance. In addition the potential energy curves, as well as the dipole, qu
## Recent experiments by Bergeman and tire led to a dipole moment of l&l = 1 .lO k 0.03 D for the v = 3 vibrational level of the A\* C' stzte of NO, whereas conflgxation interaction (CI) stud& by Green led to p = 0.39 D (N+O-), a serious discrepancy. We report herein ab initjo generalized valence