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Volumn 109, Issue 5, 1998, Pages 1939-1958

Frequency and wave-vector dependent dielectric function of water: Collective modes and relaxation spectra

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Indexed keywords


EID: 0001625590     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476884     Document Type: Article
Times cited : (112)

References (112)
  • 1
    • 0002952471 scopus 로고
    • in edited by R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup Elsevier, Amsterdam Vol. Chap. 3
    • 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.
    • (1985) The Chemical Physics of Solvation , Issue.PART A , pp. 77
    • Kornyshev, A.A.1
  • 4
    • 0004240239 scopus 로고    scopus 로고
    • Chemical Catalog Company, New York
    • P. Debye, Polar Molecules (Chemical Catalog Company, New York, 1929).
    • Polar Molecules , pp. 1929
    • Debye, P.1
  • 24
    • 22244488439 scopus 로고
    • 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
    • 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);
    • (1971) Reaction of Molecules of Electrodes
    • Case, B.1
  • 26
    • 22244450733 scopus 로고    scopus 로고
    • J. Liszi and I. Ruff, in Ref. 1, Part A, p. 119
    • J. Liszi and I. Ruff, in Ref. 1, Part A, p. 119.
  • 29
    • 22244493319 scopus 로고    scopus 로고
    • note
    • In the present analysis ε(k→∞)=1 since electronic degrees of freedom are not included in the model.
  • 31
    • 22244438935 scopus 로고    scopus 로고
    • M. F. Golovko and I. R. Yukhnovskij, in Ref. 1, p. 207
    • M. F. Golovko and I. R. Yukhnovskij, in Ref. 1, p. 207.
  • 40
    • 22244461214 scopus 로고    scopus 로고
    • note
    • 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.
  • 41
    • 22244456437 scopus 로고    scopus 로고
    • note
    • 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.
  • 51
    • 22244453130 scopus 로고    scopus 로고
    • 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.
  • 52
    • 0000054442 scopus 로고
    • The BJH model is a modification of the CF2 central force model of Stillinger and Rahman
    • 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.
    • (1978) J. Chem. Phys. , vol.68 , pp. 666
    • Stillinger, F.H.1    Rahman, A.2
  • 61
    • 22244467436 scopus 로고    scopus 로고
    • note
    • *.
  • 62
    • 22244436314 scopus 로고    scopus 로고
    • note
    • 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.
  • 65
    • 22244432221 scopus 로고    scopus 로고
    • T. Fonseca and B. M. Ladanyi, in Ref. 21, p. 79
    • T. Fonseca and B. M. Ladanyi, in Ref. 21, p. 79.
  • 66
    • 22244451411 scopus 로고    scopus 로고
    • note
    • 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.
  • 85
    • 22244481909 scopus 로고    scopus 로고
    • note
    • 2S(k,ω).
  • 93
    • 2742556592 scopus 로고
    • in edited by G. K. Horton and A. A. Maradudin North Holland, Amsterdam
    • 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.
    • (1975) Dynamical Properties of Solids , vol.2 , pp. 151
    • Schnepp, O.1    Jacobi, N.2
  • 95
    • 22244448120 scopus 로고    scopus 로고
    • note
    • Similar estimates have been given in Refs. 6 16, and 66 as Onsager limit of the dielectric function.
  • 111
    • 22244471413 scopus 로고    scopus 로고
    • note
    • ηζ are of interest.
  • 112
    • 22244458330 scopus 로고    scopus 로고
    • note
    • In the computer simulation study of the hydrogen currents in water (see Ref. 75) a similar separation of the molecular surrounding was used.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.