Monte Carlo Calculation of ESR Line Shapes in the Slow Motional Region
- 1 October 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 57 (7) , 2680-2683
- https://doi.org/10.1063/1.1678650
Abstract
The ESR line shape in the slow modulation region is calculated from the Kubo‐Anderson theory by using a Monte Carlo technique for averaging the relaxation function. The problem of spurious peaks is solved by the means of a window technique. It is explicitly shown how to sample the relaxation function. The method is applied to axially symmetric and asymmetric secular g tensor and pseudosecular terms modulated by isotropic rotational diffusion. Other interactions, e.g., nonsecular terms, as well as other types of modulation may be included.Keywords
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