## 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
Electric dipole transition moments between the 2Σ+u and 2Σ+g states of the He+2 ion
✍ Scribed by Aristophanes Metropoulos; Yan Li; Gerhard Hirsch; Robert J. Buenker
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 526 KB
- Volume
- 198
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The electric dipole transition moments of the He; molecular ion between its two lowest 'X: states and its first six excited %+ states are computed at various internuclear distances between 0.8 and 4.0 a,. The results are obtained with two different A0 ba8sis sets at the multireference CI level of treatment and show strong variations in the regions of various avoided crossings of the 'Xl states. Predictions of the radiative transition probabilities between various He: vibrational levels in several '2: -'Z: band systems are made on this basis.
📜 SIMILAR VOLUMES
Reliable MRD-CI calculations have been carried out on the He: '2: ground and first six excited states. The adiabatic potential energy curves and the non-adiabatic matrix elements at the numerous avoided crossings have been obtained, from these, approximate diabatic curves have been constructed. The
Ab initio ~.kulations are performed 10 obtiin potenti energy curves for the X lx', state of Liz and Na\_. and the >; 2~; and A 'C; Ufcs of their anions The A 'Xi 31; curves are fwund IO mtersect the X 'z~>!z curves at lo\\ ener~res and are expected to phy ;! mtljor role in the e-+ hlz -hl-+ 11 proce
The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He; and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior the