Communication: Propagator for diffusive dynamics of an interacting molecular pair

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초록

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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3565476]

키워드

SMOLUCHOWSKI EQUATION
제목
Communication: Propagator for diffusive dynamics of an interacting molecular pair
저자
Lee, Sangyoub; Son, Chang Yun; Sung, Jaeyoung; Chong, Song-Ho
DOI
10.1063/1.3565476
발행일
2011-03
유형
Article
저널명
The Journal of Chemical Physics
권
134
호
12