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Computer simulation of the generalized brownian motion: II.An argon particle in argon fluid

par Ciccotti, Giovanni;Ferrario, Mauro;Ryckaert, Jean-Paul
Référence Molecular Physics, 46, 4, page (875-889)
Publication Publié, 1982

Article révisé par les pairs

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Résumé :

We introduce a new method, based on the theory of stationary stochastic processes, to represent by an analytical reference model a large class of autocorrelation functions known numerically. The analytical reference model is then used to give a very accurate representation of the velocity autocorrelation function of argon near the triple point by a Mori continued fraction truncated at very high order (up to 25 Mori coefficients). Under some restrictive hypothesis, the results- of this analysis together with an appropriate numerical algorithm, permit the simulation of generalized brownian dynamics of an argon particle in argon fluid in a realistic way. © 1982 Taylor & Francis Ltd.