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Proceedings Paper

New formula for the rotation matrix of normal coordinates under electronic transition
Author(s): Konstantin I. Gurjev; Anna A. Chursova
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Paper Abstract

New formula for the matrix of finite rotation of normal coordinates during electronic transition is found. It has the property of orthogonality and is expressed via the eigenvectors of the matrix of kinematic coefficients and the matrix whose eigenvalues are the squares of molecular vibration frequencies. The formula was used for the calculation of the Duschinsky's matrix for the electronic transition A1g - B2u in the benzene molecule.

Paper Details

Date Published: 20 March 2000
PDF: 3 pages
Proc. SPIE 4002, Saratov Fall Meeting '99: Laser Physics and Spectroscopy, (20 March 2000); doi: 10.1117/12.380122
Show Author Affiliations
Konstantin I. Gurjev, Saratov State Univ. (Russia)
Anna A. Chursova, Saratov State Univ. (Russia)

Published in SPIE Proceedings Vol. 4002:
Saratov Fall Meeting '99: Laser Physics and Spectroscopy
Vladimir L. Derbov; Leonid A. Melnikov; Vladimir P. Ryabukho, Editor(s)

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