Exact Solution for the Correlation Times of Dielectric Relaxation of a Single Axis Rotator with Two Equivalent Sites

Coffey, William T.; Kalmykov, Yuri P.; Massawe, Estomih S.; Waldron, J. T.

Exact Solution for the Correlation Times of Dielectric Relaxation of a Single Axis Rotator with Two Equivalent Sites

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Exact solution for the correlation times of dielectric relaxation of a single axis rotator with two equivalent sites.pdf (1.4 MB)

Date

1993

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Abstract

It is shown how exact formulas for the longitudinal and transverse dielectric correlation times and complex polar&ability tensor, of a single axis rotator with two equivalent sites may be found. This is accomplished by writing the Laplace transforms of the dipole autocorrelation functions as three term recurrence relations and solving them in terms of continued fractions. The solution of these recurrence relations, in the zero frequency limit, yields the correlation times in terms of modified Bessel functions of the first kind. The previous result of Lauritzen and Zwanzig for the longitudinal relaxation time, based on an asymptotic expansion of the SturmLiouville equation, is regained in the limit of high potential barriers.

Citation

Coffey, W.T., Kalmykov, Y.P., Massawe, E.S. and Waldron, J.T., 1993. Exact solution for the correlation times of dielectric relaxation of a single axis rotator with two equivalent sites. The Journal of chemical physics, 99(5), pp.4011-4023.

URI

http://hdl.handle.net/20.500.11810/2706

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Department of Mathematics

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