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Mean field approximation in conformation dynamics

By Gero Friesecke, Oliver Junge and Peter Koltai

Abstract

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

Topics: QA, QC
Publisher: World Scientific Publishing Co. Pte. Ltd.
Year: 2009
OAI identifier: oai:wrap.warwick.ac.uk:5888
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