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arxiv: 0907.1844 · v1 · submitted 2009-07-10 · 🧮 math.NA · math-ph· math.MP

Mean field approximation in conformation dynamics

classification 🧮 math.NA math-phmath.MP
keywords conformationdynamicsfieldmeanoperatoragreementanalysisansatz
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We propose a new approach to the transfer operator based analysis of the conformation dynamics of molecules. It is based on a statistical independence ansatz for the eigenfunctions of the operator related to a partitioning into subsystems. Numerical tests performed on small systems show excellent qualitative agreement between mean field and exact model, at greatly reduced computational cost.

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