A permutation-group direct configuration interaction procedure for second order molecular properties. Program implementation with application to the A 2Σ+←X 2Π two-photon transition of the OH radical
- 1 November 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 91 (9) , 5518-5527
- https://doi.org/10.1063/1.457555
Abstract
A permutation group direct configuration interaction program, using graphical techniques, has been extended to second order properties. Using this program, absolute and relative two‐photon cross sections have been evaluated for the rotational lines of three vibronic bands 0–0, 1–0, 1–1 of the A 2Σ+←X 2Π transition of OH. The computed absorption coefficients are compared with the available experimental data.Keywords
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