New formula for the rotation matrix of normal coordinates under electronic transition

Konstantin I. Gurjev; Anna A. Chursova

doi:10.1117/12.380122

20 March 2000 New formula for the rotation matrix of normal coordinates under electronic transition

Konstantin I. Gurjev, Anna A. Chursova

Proceedings Volume 4002, Saratov Fall Meeting '99: Laser Physics and Spectroscopy; (2000) https://doi.org/10.1117/12.380122
Event: Saratov Fall Meeting '99, 1999, Saratov, Russian Federation

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 A_1g - B_2u in the benzene molecule.

Citation Download Citation

Konstantin I. Gurjev and Anna A. Chursova "New formula for the rotation matrix of normal coordinates under electronic transition", Proc. SPIE 4002, Saratov Fall Meeting '99: Laser Physics and Spectroscopy, (20 March 2000); https://doi.org/10.1117/12.380122

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