A fast path integral method for polarizable force fields.

A quantum simulation of an imaginary time path integral typically requires around n times more computational effort than the corresponding classical simulation, where n is the number of ring polymer beads (or imaginary time slices) used in the calculation. It is however possible to improve on this e...

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Bibliografske podrobnosti
Main Authors: Fanourgakis, G, Markland, T, Manolopoulos, D
Format: Journal article
Jezik:English
Izdano: 2009