Theoretical study of the A 1Π-X1Σ+ and E 1Σ+-X1Σ+ bands of SiO.

Details Theoretical study of the A 1Π-X1Σ+ and E 1Σ+-X1Σ+ bands of SiO. Theoretical study of the A 1Π-X1Σ+ and E 1Σ+-X1Σ+ bands of SiO.

Jul 1998

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1998jqsrt..60....1d&link_type=abstract

Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 60, issue 1, pp. 1-8

Computer Science

2

Molecular Spectra: Molecular Data

Scientific paper

Franck-Condon factors and radiative lifetimes of the A 1Π-X1Σ+ and E 1Σ+-X1Σ+ transitions of the SiO molecule have been calculated from accurate ab initio MRCI calculations including electronic transition moment variations. A comparison of the present results with the RKR potentials shows a good agreement and the deduced spectroscopic constants agree reasonably well with the experimental values. The variations of the electronic transition moment of the two bands are compared with the few experimental data and critically discussed.

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