Large-scale CI calculations are carried out to obtain accurate bending potential energy curves for the 1 3 A 1 and 2 3 B 1 components of the A 3 u electronic state of NCN and the electric transition moment functions for the A 3 u -X 3 - g spectral system of this molecule. These data are combined to
The Renner—Teller effect and vibronically induced bands in the electronic spectrum of NCO
✍ Scribed by P.S.H. Bolman; J.M. Brown
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 374 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
A variational approach is applied to calculate the vibronic energy levels and the corresponding wavefunctions for the \(X^{2} I_{u}\) electronic state of \(\mathrm{B}_{2} \mathrm{H}_{2}^{+}\). The potential surfaces involving variations of the symmetric B-H stretching, B-B stretching, trans- and cis
Second-order perturbative formulae for handling the Renner-Teller effect combined with the spin-orbit coupling in electronic states of triatomic and symmetric (ABBA-type) tetra-atomic molecules with linear equilibrium geometry are derived. Two schemes for partition of the model Hamiltonian are emplo
Second-order perturbative formulae for handling the Renner-Teller effect combined with the spin-orbit coupling in electronic states of triatomic and symmetric (ABBA-type) tetra-atomic molecules with linear equilibrium geometry are derived via two schemes for partition of the model Hamiltonian. The f
The two-photon fluorescence excitation spectra of anthracene and a&dine in a Shpolskii matrix at 10 K, and anthracene and 9-methylanthracene in solution at room temperature, have been measured in the 3200-3900 A region. By means of the perturbation selection rules of alternant hydrocarbon theory, an