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Reformulation of the representation of transport coefficients using the autocorrelation-function formalism and the linear-trajectory approximation

par Berne, Bruce Bruce J.;Boon, Jean-Pierre ;Rice, Stuart
Référence The Journal of Chemical Physics, 47, 7, page (2283-2291)
Publication Publié, 1967

Article révisé par les pairs

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Résumé :

The linear-transport coefficients are exactly described in terms of the "generalized force" autocorrelation function. For weakly coupled systems these formal expressions take simple forms equivalent to the results obtained from other approaches. In addition, the linear-trajectory method is described for the case of strongly interacting systems, and an elementary analysis of the transport coefficients at finite frequency is given (see Appendix B).