MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states
β Scribed by Giannoula Theodorakopoulos; Ioannis D. Petsalakis; Robert J. Buenker
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 931 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within
MRD CI calculations are presented on the asymmetric dissociation and the bending potentials of the ground and nine excited electronic states of H2S, at excitation energies under 9.0 eV. The results show that some similarities exist between the potentials of the states of H2S and those of HzO, but al
Torsion-rotation energy levels of the excited vibrational state of the antisymmetric \(\mathrm{OH}\)-stretch fundamental \(\nu_{5}\) of hydrogen peroxide are reported. These levels are determined from \(1.24 \mathrm{~m}\) path difference Fourier transform spectra taken between 3200 and \(4200 \mathr