Communication: Propagator for diffusive dynamics of an interacting molecular pair

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Abstract

We introduce a new method of solution for the Fredholm integral equations of the second kind. The method would be useful when the direct iterative approach leads to a divergent perturbation series solution. By using the method, we obtain an accurate expression of the propagator for diffusive dynamics of a pair of particles interacting via an arbitrary central potential and hydrodynamic interaction. We test the accuracy of the propagator expression by calculating the diffusion-controlled geminate and bimolecular reaction rates. It is shown that our propagator expression provides very accurate results for the whole time region. © 2011 American Institute of Physics.

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Lee, S., Son, C. Y., Sung, J., & Chong, S. H. (2011). Communication: Propagator for diffusive dynamics of an interacting molecular pair. Journal of Chemical Physics, 134(12). https://doi.org/10.1063/1.3565476

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