A stochastic method for the calculation of the mean force potential in condensed media under blockade of the heat motion by a potential barrier

S. V. Shevkunov

Žurnal vyčislitelʹnoj matematiki i matematičeskoj fiziki, Tome 45 (2005) no. 12, pp. 2283-2291

Résumé

The problem of the exact calculation of the mean force potential of interacting particles under the condition when the potential barrier cannot be overcome on microscopic time intervals is solved using computer simulation. The efficiency of the method is numerically evaluated by solving the problem of the disintegration of an ion pair in a cluster of water molecules.

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