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JOURNALS // Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki // Archive

Zh. Vychisl. Mat. Mat. Fiz., 2005 Volume 45, Number 12, Pages 2283–2291 (Mi zvmmf558)

This article is cited in 16 papers

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

Saint-Petersburg State Polytechnical University

Abstract: 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.

UDC: 519.676

Received: 15.11.2004
Revised: 04.05.2005


 English version:
Computational Mathematics and Mathematical Physics, 2005, 45:12, 2196–2204

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