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3
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36849103820
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Weeks, J.D.1
Chandler, D.2
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J. D. Weeks, D. Chandler, and H. C. Anderson, J. Chem. Phys. 54, 5237 (1971): D. Chandler, J. D. Weeks, and H. C. Andersen, Science 220, 787 (1983).
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Science
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Chandler, D.1
Weeks, J.D.2
Andersen, H.C.3
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8
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0000416253
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D. E. Sullivan and G. Stell, J. Chem. Phys. 69, 5450 (1978); D. E. Sullivan, D. Levesque, and J. J. Weis, ibid. 72, 1170 (1980).
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Sullivan, D.E.1
Stell, G.2
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9
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D. E. Sullivan and G. Stell, J. Chem. Phys. 69, 5450 (1978); D. E. Sullivan, D. Levesque, and J. J. Weis, ibid. 72, 1170 (1980).
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Sullivan, D.E.1
Levesque, D.2
Weis, J.J.3
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10
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B. Widom, Science 157, 375 (1967). See also H. C. Longuet-Higgins and B. Widom, Mol. Phys. 8, 549 (1964).
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Science
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Widom, B.1
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15
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0342874634
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note
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To compare with simulations, we actually used the standard cutoff and shifted LJ potential with cutoff radius at r = 2.5σ.
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16
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0004098212
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edited by D. Henderson Dekker, New York
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For a general review, see R. Evans, in Fundamentals of Inhomogeneous Fluids, edited by D. Henderson (Dekker, New York, 1992).
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(1992)
Fundamentals of Inhomogeneous Fluids
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Evans, R.1
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18
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0342874633
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note
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A preliminary account of this part of our work was published in Ref. 5.
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19
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0342440112
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note
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In practice, since in MD only forces are needed, we actually iterated the gradient of Eq. (3), with forces determined "on the fly" during the simulation. This also allowed us to test other more complicated approximations to the ERF that involved gradients, such as the "inhomogeneous force equation" introduced in Ref. 5. As already discussed in Ref. 5, only small differences were found, so we report here only results for the simpler Eq. (3).
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21
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0002546271
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edited by H. L. Frisch and J. L. Lebowitz Benjamin, New York
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J. K. Percus, in The Equilibrium Theory of Classical Fluids, edited by H. L. Frisch and J. L. Lebowitz (Benjamin, New York, 1964), p. 11-33.
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(1964)
The Equilibrium Theory of Classical Fluids
, pp. 11-33
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Percus, J.K.1
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22
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0343309655
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note
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This is equivalent to the local density approximation often used in density functional theories. See Ref. 13.
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24
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0001330739
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D. Chandler, Phys. Rev. E 48, 2898 (1993). See also G. E. Crooks and D. Chandler, ibid. 56, 4217 (1997).
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(1993)
Phys. Rev. E
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, pp. 2898
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Chandler, D.1
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29
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36449009180
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This approximation has been suggested in slightly different contexts by Z. Tang, L. E. Seriven, and H. T. Davis, J. Chem. Phys. 95, 2659 (1991) and by J. A. Barker and D. Henderson, ibid. 47, 4714 (1967).
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J. Chem. Phys.
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Tang, Z.1
Seriven, L.E.2
Davis, H.T.3
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30
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34250318301
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This approximation has been suggested in slightly different contexts by Z. Tang, L. E. Seriven, and H. T. Davis, J. Chem. Phys. 95, 2659 (1991) and by J. A. Barker and D. Henderson, ibid. 47, 4714 (1967).
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J. Chem. Phys.
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Barker, J.A.1
Henderson, D.2
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31
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0343745330
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unpublished
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J. D. Weeks (unpublished).
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Weeks, J.D.1
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32
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0343309654
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note
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This follows immediately from Eq. (12) by considering the density response to a small shift in the external potential. See Ref. 28.
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33
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0001058256
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R. A. Lovett, C. Y. Mou, and F. P. Buff, J. Chem. Phys. 65, 570 (1976). See also M. Wertheim, ibid. 65, 2377 (1976).
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J. Chem. Phys.
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Lovett, R.A.1
Mou, C.Y.2
Buff, F.P.3
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34
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36749112266
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R. A. Lovett, C. Y. Mou, and F. P. Buff, J. Chem. Phys. 65, 570 (1976). See also M. Wertheim, ibid. 65, 2377 (1976).
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J. Chem. Phys.
, vol.65
, pp. 2377
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Wertheim, M.1
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35
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0031280814
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for further discussion of this point
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0. See S. Iatsevitch and F. Forstmann, J. Chem. Phys. 107, 6925 (1997) for further discussion of this point.
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J. Chem. Phys.
, vol.107
, pp. 6925
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Iatsevitch, S.1
Forstmann, F.2
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36
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0343745327
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note
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R, gives another reason for preferring the use of these equations.
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