Note on generalized potential models for the H2+ ground electronic state
β Scribed by R.W Bickes Jr.
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 115 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1
We report here the determination of a new potential energy surface for the electronic ground state of the H 2 Te molecule by fitting to an extensive set of very recent experimental spectroscopic data (see J.-M. Flaud, P. Arcas, H. Bu Β¨rger, O. Polanz, and L. Halonen, J. Mol. Spectrosc. 183, 310-335
Previous spectroscopically determined potentials for both H 2 16 O and NO 2 are discussed. It is shown that a recent H 2 16 O potential energy surface due to D. Xie and G. Yan (1996. Chem. Phys. Lett. 248, 409), which was determined by fits to vibrational term values alone and was claimed to be more
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