Author(s): Benedict Leimkuhler
A wide family of methods is described for sampling in the canonical ensemble. The Bulgac-Kusnezov method is generalized to include a more complicated coupling structure and stochastic perturbations. It is shown that a controlled fluctuation of the potential surface or force field in a molecular mode...
[Phys. Rev. E 81, 026703] Published Fri Feb 12, 2010
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