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Volumn 106, Issue 9, 1997, Pages 3696-3702

First principles simulations of fluid water: The radial distribution functions

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EID: 0000935021     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474121     Document Type: Article
Times cited : (38)

References (44)
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    • note
    • αβ present in these calculations.
  • 21
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    • For a detailed discussion, see Appendix A in Ref. 9
    • For a detailed discussion, see Appendix A in Ref. 9.
  • 24
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    • M. Finnis, J. Phys. Condens. Matter 2, 331 (1990); O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989); F. Averill and G. Painter, ibid. 41, 10344 (1990); H. M. Polatoglou and M. Methfessel, ibid. 41, 5898 (1990).
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    • M. Finnis, J. Phys. Condens. Matter 2, 331 (1990); O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989); F. Averill and G. Painter, ibid. 41, 10344 (1990); H. M. Polatoglou and M. Methfessel, ibid. 41, 5898 (1990).
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    • Sankey, O.F.1    Niklewski, D.J.2
  • 26
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    • M. Finnis, J. Phys. Condens. Matter 2, 331 (1990); O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989); F. Averill and G. Painter, ibid. 41, 10344 (1990); H. M. Polatoglou and M. Methfessel, ibid. 41, 5898 (1990).
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    • M. Finnis, J. Phys. Condens. Matter 2, 331 (1990); O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989); F. Averill and G. Painter, ibid. 41, 10344 (1990); H. M. Polatoglou and M. Methfessel, ibid. 41, 5898 (1990).
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    • See, for example, A. H. Narten and H. A. Levy, J. Chem. Phys. 55, 2263 (1971); G. A. Gaballa and G. W. Neilson, Mol. Phys. 50, 97 (1983); Yu. E. Gorbaty and Yu. N. Demianets, ibid. 55, 571 (1985).
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  • 34
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    • See, for example, A. H. Narten and H. A. Levy, J. Chem. Phys. 55, 2263 (1971); G. A. Gaballa and G. W. Neilson, Mol. Phys. 50, 97 (1983); Yu. E. Gorbaty and Yu. N. Demianets, ibid. 55, 571 (1985).
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  • 35
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    • See, for example, A. H. Narten and H. A. Levy, J. Chem. Phys. 55, 2263 (1971); G. A. Gaballa and G. W. Neilson, Mol. Phys. 50, 97 (1983); Yu. E. Gorbaty and Yu. N. Demianets, ibid. 55, 571 (1985).
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    • note
    • By integrating the center of mass velocity autocorrelation function.
  • 41
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    • note
    • OO(r) obtained from the inversion of the experimental F(k) shows some structure beyond the first peak, which is not present in the ab-initio result.
  • 42
    • 0002855905 scopus 로고
    • See, for example, B. M. Deb, Rev. Mod. Phys. 45, 22 (1973); M. Menon and R. E. Allen, Phys. Rev. B 38, 6196 (1988); O. F. Sankey and D. Niklewski, ibid. 40, 3979 (1989).
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  • 43
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    • See, for example, B. M. Deb, Rev. Mod. Phys. 45, 22 (1973); M. Menon and R. E. Allen, Phys. Rev. B 38, 6196 (1988); O. F. Sankey and D. Niklewski, ibid. 40, 3979 (1989).
    • (1988) Phys. Rev. B , vol.38 , pp. 6196
    • Menon, M.1    Allen, R.E.2
  • 44
    • 0001563650 scopus 로고
    • See, for example, B. M. Deb, Rev. Mod. Phys. 45, 22 (1973); M. Menon and R. E. Allen, Phys. Rev. B 38, 6196 (1988); O. F. Sankey and D. Niklewski, ibid. 40, 3979 (1989).
    • (1989) Phys. Rev. B , vol.40 , pp. 3979
    • Sankey, O.F.1    Niklewski, D.2


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