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85088620366
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note
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-3, and energies (per particle) in units of ∈.
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31
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5844356839
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note
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It is convenient to work with a discrete set of volume macrostates, whose construction is discussed below.
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32
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5844396617
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note
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We use the term multicanonical to describe an ensemble "extended" by the weighting of the macrostates of any macroscopic variable.
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33
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5844400891
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See remarks following Eq. (19)
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See remarks following Eq. (19).
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34
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0003431642
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edited by C.R.A. Catlow, C.S. Parker, and M.P. Allen Kluwer Academic, Dordrecht
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Frenkel, D.1
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35
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5844347632
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note
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One must allow for the nonuniformity of the macrostate spacing when constructing the probability density for v from the discrete macrostate probabilities.
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37
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5844374319
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note
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We assume, implicitly, that the visits are essentially uniformly distributed through the macrostates.
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38
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5844426357
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See, however, the discussion of multistage sampling in Sec. VI
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See, however, the discussion of multistage sampling in Sec. VI.
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39
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5844409827
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note
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r,=64), implying the need for over 300 h for just one traverse per replica.
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40
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5844373434
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note
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Indeed, although we shall proceed somewhat differently, the coexistence pressure, as well as the specific volumes of the coexisting phases, for this temperature can immediately be estimated by constructing the double tangent of the limiting multicanonical weight function.
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41
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85088620957
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note
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d scaling of the weights (determined for a smaller system) provides a fairly good initial estimate.
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45
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5844403227
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private communication
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P. Bolhuis (private communication).
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Bolhuis, P.1
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48
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5844412753
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note
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The present study itself gives no assurance that the solid phases studied are anything more than metastable with respect to the liquid phase.
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