Communication: Propagator for diffusive dynamics of an interacting molecular pair.

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.

DOI: 10.1063/1.3565476

Cite this paper

@article{Lee2011CommunicationPF, title={Communication: Propagator for diffusive dynamics of an interacting molecular pair.}, author={Sangyoub Lee and Chang Yun Son and Jaeyoung Sung and Song-Ho Chong}, journal={The Journal of chemical physics}, year={2011}, volume={134 12}, pages={121102} }