Monte Carlo algorithms based on the number of potential moves

Details Monte Carlo algorithms based on the number of potential moves Monte Carlo algorithms based on the number of potential moves

1999-03-15

arxiv.org/abs/cond-mat/9903224v1

Comp. Phys. Commu. vol 127, page 131 (2000).

Physics

Condensed Matter

Statistical Mechanics

8 pages, 4 figures, invited talk on CCP99 conference, 20-27 May 99, Atlanta, GA

Scientific paper

10.1016/S0010-4655(00)00016-3

We discuss Monte Carlo dynamics based on _E, the (microcanonical) average number of potential moves which increase the energy by Delta E in a single spin flip. The microcanonical average can be sampled using Monte Carlo dynamics of a single spin flip with a transition rate min(1, _E' / _E) from energy E to E'. A cumulative average (over Monte Carlo steps) can be used as a first approximation to the exact microcanonical average in the flip rate. The associated histogram is a constant independent of the energy. The canonical distribution of energy can be obtained from the transition matrix Monte Carlo dynamics. This second dynamics has fast relaxation time - at the critical temperature the relaxation time is proportional to specific heat. The dynamics are useful in connection with reweighting methods for computing thermodynamic quantities.

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