Electronic structure and perturbations: Interpretation in the SiO valence states |
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Authors: | JM Robbe J Schamps H Lefebvre-Brion G Raseev |
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Institution: | 1. Centre de Mécanique Ondulatoire Appliquée, 23, rue du Maroc, 75019 Paris, France;2. Laboratoire de Photophysique Moléculaire (Bât. 213), Faculté des Sciences d''Orsay, 91405 Orsay, France |
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Abstract: | Using SCF-CI wavefunctions, we have calculated energies and spectroscopic constants of low-lying states of SiO. Special attention has been paid to the 3Π states and has led to the prediction of a new state lying close to the observed c3Πi state. Ab initio calculations of parameters characteristic of the perturbations occurring between the valence states of SiO have been performed and compared to experimental deperturbation analysis of Field, Lagerqvist, and Renhorn. |
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