Theoretical electronic structure and perturbations in SiS
Wavefunctions, SCF-CI energies, and spectroscopic constants of low-lying electronic states of SiS have been computed. Ab initio calculations of parameters characteristic of the perturbations occurring between the valence states of SiS have been performed. The results present, as in SiO, a large diff...
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Published in | Journal of molecular spectroscopy Vol. 85; no. 1; pp. 215 - 224 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Elsevier Inc
1981
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Online Access | Get full text |
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Summary: | Wavefunctions, SCF-CI energies, and spectroscopic constants of low-lying electronic states of SiS have been computed. Ab initio calculations of parameters characteristic of the perturbations occurring between the valence states of SiS have been performed. The results present, as in SiO, a large difference between
3Π and
1Π perturbation parameters. Predictions of the magnitude of the corresponding perturbations in heavier molecules (SiSe, SiTe) are reported. |
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ISSN: | 0022-2852 1096-083X |
DOI: | 10.1016/0022-2852(81)90320-9 |