Solving the low dimensional Smoluchowski equation with a singular value basis set
نویسندگان
چکیده
منابع مشابه
Solving the low dimensional Smoluchowski equation with a singular value basis set
Reaction kinetics on free energy surfaces with small activation barriers can be computed directly with the Smoluchowski equation. The procedure is computationally expensive even in a few dimensions. We present a propagation method that considerably reduces computational time for a particular class of problems: when the free energy surface suddenly switches by a small amount, and the probability...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2010
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.21535