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Semiclassical vibrational eigenvalues of H2O and SO2 by the adiabatic switching method

✍ Scribed by B.R. Johnson

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 833 KB
Volume: 51
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(88)90057-4

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✦ Synopsis

The adiabatic switching method is used to calculate semiclassical vibrational eigenvalues for H20 and SO2. Hyperspherical coordinates are utilized and a semiclassical correction rule, analogous to the Langer method in WKB theory is proposed and tested. Results calculated without the correction rule are in good agreement with previous semiclassical calculations, results obtained with the correction rule are significantly more accurate.

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