✦ LIBER ✦

A theoretical study of the electric dipole moment function of SiO

✍ Scribed by Stephen R. Langhoff; Charles W. Bauschlicher Jr.

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 657 KB
Volume: 211
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)87064-a

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✦ Synopsis

A globally accurate electric dipole moment function (EDMF) is computed for the SiO molecule using large one-particle basis sets and an extensive treatment of electron correlation. A small translation of the EDMF brings the computed dipole moments for u=O-3 into good agreement with the highly accurate experimental values. The Einstein coefficients for the I-O fundamental and especially the 2-O overtone band are significantly larger than the currently accepted values. Implications for astronomical measurements are discussed.

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