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On the simulation of the Smoluchowski boundary condition and the interpolation of brownian paths

 

作者: P. Clifford,   N.J.B. Green,  

 

期刊: Molecular Physics  (Taylor Available online 1986)
卷期: Volume 57, issue 1  

页码: 123-128

 

ISSN:0026-8976

 

年代: 1986

 

DOI:10.1080/00268978600100091

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

An artefact of simulating diffusion-controlled reactions with a discrete time-step, which arises from lack of knowledge of the trajectory within the time-step, is discussed. A method of interpolating the trajectory to arbitrary accuracy is derived and the interpolated ‘brownian bridge’ process is used to calculate the probability that reaction has occurred during the time-step given the initial and final positions of the particles.

 

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