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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