Ab initio ~on~guration interaction calctdations which employ relativistic effective potentials for Sn are carried out for the X 'Z +, 'I; +, 'A, 'S -, '2 -,31'1, 'II and 'Z + (If) states of SnS. Spectroscopic properties of these states are computed and compared with available experimental results. T
Ethynylbenzene calculations of energies of electronic states
โ Scribed by G.W King; S.P So
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 412 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Detailed calculations of the interaction potentials oFs:veral electronic states of the Li; molecule have been czkd out in which t'nc mclecule is described as a sir& electron moving in the field of two polarizd~le COICS-. Comparison with the ab initio mnny-dectron calculations of Michels su\_gests th
The quantum mechanical energy is examined in which groups of one, two, three, and four localized electron pairs found within a molecule are separately computed. From these results, the interaction energies of the electron pairs taken one, two, three, and four at a time form the terms of a convergent