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5
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-
0004138120
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-
Springer-Verlag, Berlin
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R. Kubo, M. Toda, and N. Hashitsume, Statistical Physics II: Nonequilibrium Statistical Mechanics (Springer-Verlag, Berlin, 1985), Chap. 2.
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(1985)
Statistical Physics II: Nonequilibrium Statistical Mechanics
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Kubo, R.1
Toda, M.2
Hashitsume, N.3
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6
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85037234678
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We assume these initial conditions regardless of whether or not the thermalization assumption mentioned above is met. Thus, even if, for instance, the system is isolated during the switching process, we still assume that it was earlier allowed to thermalize with some heat reservoir
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We assume these initial conditions regardless of whether or not the thermalization assumption mentioned above is met. Thus, even if, for instance, the system is isolated during the switching process, we still assume that it was earlier allowed to thermalize with some heat reservoir.
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-
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7
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85037255191
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Gaun E. Crooks (unpublished)
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Gaun E. Crooks (unpublished).
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8
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0003437218
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Addison-Wesley, Reading, MA
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H. Goldstein, Classical Mechanics, 2nd ed. (Addison-Wesley, Reading, MA, 1980), Secs. 10-5 and 11-7.
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(1980)
Classical Mechanics
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Goldstein, H.1
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17
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0003990679
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North-Holland, Amsterdam
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Simulations of Liquids and Solids, edited by D. Frenkel, I. R. McDonald, and G. Ciccotti (North-Holland, Amsterdam, 1986), Chap. 2;
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(1986)
Simulations of Liquids and Solids
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24
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36549104841
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See, for instance, T. P. Straatsma, H. J. C. Berendsen, and J. P. M. Postma, J. Chem. Phys. 85, 6720 (1986); JCPSA6
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(1986)
J. Chem. Phys.
, vol.85
, pp. 6720
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Straatsma, T.P.1
Berendsen, H.J.C.2
Postma, J.P.M.3
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28
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0000226546
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L.-W. Tsao, S.-Y. Sheu, and C.-Y. Mou, J. Chem. Phys. 101, 2302 (1994).JCPSA6
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(1994)
J. Chem. Phys.
, vol.101
, pp. 2302
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30
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85037201406
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This is easy to see: Typically sampled values of (Formula presented) are those within a standard deviation or so of the maximum of (Formula presented), while the values of (Formula presented) that are most important in determining (Formula presented) are those near the maximum of (Formula presented). As a general rule, the two sets will overlap significantly only if the function (Formula presented) does not change much over one standard deviation in (Formula presented)
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This is easy to see: Typically sampled values of (Formula presented) are those within a standard deviation or so of the maximum of (Formula presented), while the values of (Formula presented) that are most important in determining (Formula presented) are those near the maximum of (Formula presented). As a general rule, the two sets will overlap significantly only if the function (Formula presented) does not change much over one standard deviation in (Formula presented).
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31
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85037204354
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Stimulating correspondence with D. Frenkel on this point is gratefully acknowledged
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Stimulating correspondence with D. Frenkel on this point is gratefully acknowledged.
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34
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85037193742
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Indeed, “the free energy of the system at the end of the switching process” is not a well-defined quantity since the statistical state of the system does not correspond to canonical equilibrium
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Indeed, “the free energy of the system at the end of the switching process” is not a well-defined quantity since the statistical state of the system does not correspond to canonical equilibrium.
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