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تسجيل مستخدم جديدConditional entropy; an alternative derivation of the pair correlation function for simple classical fluids
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تأليف
Richard Bonneville
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We present an alternative derivation of the pair correlation function for simple classical fluids by using a variational approach. That approach involves the conditional probability p(3,..., N /1, 2) of an undefined system of N particles with respect to a given pair (1,2), and the definition of a conditional entropy $sigma$(3,..., N /1, 2). An additivity assumption of $sigma$(3,..., N /1, 2) together with a superposition assumption for p(3 / 1, 2) allows deriving the pair probability p(1,2). We then focus onto the case of simple classical fluids, which leads to an integral, non-linear equation that formally allows computing the pair correlation function g(R). That equation admits the one resulting from the hyper netted chain approximation (and the Percus-Yevick approximation) as a limit case.
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