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in edited by R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup Elsevier, Amsterdam Vol. Chap. 3
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A. A. Kornyshev, in The Chemical Physics of Solvation, edited by R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup (Elsevier, Amsterdam, 1985), Vol. Part A, Chap. 3, p. 77.
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P. Debye, Polar Molecules (Chemical Catalog Company, New York, 1929).
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Polar Molecules
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Debye, P.1
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0000186453
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A. D. Trokhymuchuk, M. F. Holovko, E. Spohr, and K. Heinzinger, Mol. Phys. 77, 903 (1992).
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Trokhymuchuk, A.D.1
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15
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22244481622
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in edited by J. T. Devreese Plenum, London
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P. W. Anderson, in Elementary Excitations in Solids, Molecules and Atoms, edited by J. T. Devreese (Plenum, London, 1974), Part A, p.1;
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Anderson, P.W.1
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G. Cappellini, R. Del Sole, L. Reining, and F. Bechstedt, Phys. Rev. B 47, 9892 (1993).
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24
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22244488439
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One assumes a decreasing behavior from k=0 to higher k values in order to get a small value of effective dielectric constant near a charge source (ion), rising monotonously and reaching the macroscopic value far from the ion - a common assumption in modifications of the primitive model of electrolytes. See for example: in edited by N. S. Hush Wiley Interscience, London
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One assumes a decreasing behavior from k=0 to higher k values in order to get a small value of effective dielectric constant near a charge source (ion), rising monotonously and reaching the macroscopic value far from the ion - a common assumption in modifications of the primitive model of electrolytes. See for example: B. Case, in Reaction of Molecules of Electrodes, edited by N. S. Hush (Wiley Interscience, London, 1971);
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Reaction of Molecules of Electrodes
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Case, B.1
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26
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22244450733
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J. Liszi and I. Ruff, in Ref. 1, Part A, p. 119
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J. Liszi and I. Ruff, in Ref. 1, Part A, p. 119.
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27
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0039224896
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in edited by M. P. Tosi and A. A. Kornyshev World Scientific, Singapore
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A. A. Kornyshev, D. A. Kossakowski, and M. A. Vorotyntsev, in Condensed Matter Physics Aspects of Electrochemistry, edited by M. P. Tosi and A. A. Kornyshev (World Scientific, Singapore, 1991), p. 92.
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Kornyshev, A.A.1
Kossakowski, D.A.2
Vorotyntsev, M.A.3
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29
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22244493319
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note
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In the present analysis ε(k→∞)=1 since electronic degrees of freedom are not included in the model.
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31
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22244438935
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M. F. Golovko and I. R. Yukhnovskij, in Ref. 1, p. 207
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M. F. Golovko and I. R. Yukhnovskij, in Ref. 1, p. 207.
-
-
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40
-
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22244461214
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note
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BT/ may exist in the system so that the use of the purely classical form of FDT would be inaccurate. The semi-quantum "extrapolation formula," Eq. (7), weights more accurately the high frequency contributions to the response.
-
-
-
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41
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22244456437
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note
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For k=0 one can perform capacitor experiments, where the electric potential or the charge on the plates is controlled. In the former case (ε-1), in the latter case (1-1/ε) is the response function.
-
-
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43
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0001786236
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S. W. de Leeuw, J. M. Perram, and E. R. Smith, Proc. R. Soc. London, Ser. A 373, 27 (1980);
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Proc. R. Soc. London, Ser. A
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, pp. 27
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De Leeuw, S.W.1
Perram, J.M.2
Smith, E.R.3
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51
-
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22244453130
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note
-
-1) of Ref. 28 and the present shows different values though albeit the latter one within the error bar of the earlier one. The difference may be caused by the fact that we have enlarged the trajectory length from 250 to 800 ps, which leads to better statistics.
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-
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52
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0000054442
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The BJH model is a modification of the CF2 central force model of Stillinger and Rahman
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The BJH model is a modification of the CF2 central force model of Stillinger and Rahman (F. H. Stillinger and A. Rahman, J. Chem. Phys. 68, 666 (1978)). The original intermolecular non-Coulombic potential was modified and divided into an inter- and an intramolecular part. The water molecules are not allowed to dissociate.
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J. Chem. Phys.
, vol.68
, pp. 666
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Stillinger, F.H.1
Rahman, A.2
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58
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36449000479
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S. M. Kast, K. Nicklas, H. J. Bär, and J. Brickmann, J. Chem. Phys. 100, 566 (1994).
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J. Chem. Phys.
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Kast, S.M.1
Nicklas, K.2
Bär, H.J.3
Brickmann, J.4
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61
-
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22244467436
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note
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*.
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-
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62
-
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22244436314
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note
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ij(r), from whence a dielectric function was obtained which does not go down directly from the macroscopic dielectric constant in the "small k-region," but exhibits a divergence point at very small k.
-
-
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63
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21844488251
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c, see
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c, see A. D. Trokhymchuk, M. F. Holovko, and K. Heinzinger, Z. Naturforsch. B 50, 18 (1995).
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Z. Naturforsch. B
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, pp. 18
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Trokhymchuk, A.D.1
Holovko, M.F.2
Heinzinger, K.3
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65
-
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22244432221
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T. Fonseca and B. M. Ladanyi, in Ref. 21, p. 79
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T. Fonseca and B. M. Ladanyi, in Ref. 21, p. 79.
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-
-
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66
-
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22244451411
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note
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b(k). However, since the longitudinal part of the dipole moment is the leading term in the multipole expansion of the bound charge density distribution, the described phenomena will be mirrored in our calculations.
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-
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80
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35949008503
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M. A. Ricci, D. Rocca, G. Ruocco, and R. Vallauri, Phys. Rev. Lett. 61, 1958 (1988).
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Phys. Rev. Lett.
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, pp. 1958
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Ricci, M.A.1
Rocca, D.2
Ruocco, G.3
Vallauri, R.4
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81
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6144247972
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M. A. Ricci, D. Rocca, G. Ruocco, and R. Vallauri, Phys. Rev. A 40, 7226 (1989).
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Phys. Rev. A
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Ricci, M.A.1
Rocca, D.2
Ruocco, G.3
Vallauri, R.4
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85
-
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22244481909
-
-
note
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2S(k,ω).
-
-
-
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87
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84856122441
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G. Pálinkás, I. Bako, K. Heinzinger, and P. A. Bopp, Mol. phys. 73, 897 (1991).
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Pálinkás, G.1
Bako, I.2
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Bopp, P.A.4
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93
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2742556592
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in edited by G. K. Horton and A. A. Maradudin North Holland, Amsterdam
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O. Schnepp and N. Jacobi, in Dynamical Properties of Solids, edited by G. K. Horton and A. A. Maradudin (North Holland, Amsterdam, 1975), Vol. 2, p. 151.
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Dynamical Properties of Solids
, vol.2
, pp. 151
-
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Schnepp, O.1
Jacobi, N.2
-
95
-
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22244448120
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-
note
-
Similar estimates have been given in Refs. 6 16, and 66 as Onsager limit of the dielectric function.
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-
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97
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26444458905
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B. C. Perng, M. D. Newton, F. O. Raineri, and H. L. Friedman, J. Chem. Phys. 104, 7153 (1996);
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J. Chem. Phys.
, vol.104
, pp. 7153
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Perng, B.C.1
Newton, M.D.2
Raineri, F.O.3
Friedman, H.L.4
-
111
-
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22244471413
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note
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ηζ are of interest.
-
-
-
-
112
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22244458330
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-
note
-
In the computer simulation study of the hydrogen currents in water (see Ref. 75) a similar separation of the molecular surrounding was used.
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