Abstract
The polarization of jellium by a fixed proton impurity at 0 K is determined for an electron density range from metallic to dilute using the quantum Monte Carlo algorithm. Preliminary results show the correct H− binding limit for the impurity in a dilute electron gas. The screening indicates transitions from two-to one-electron binding and from localized to delocalized electrons as the jellium density increases. The results are compared to density functional calculations. Pair distribution functions, Friedel oscillations, and binding energies are discussed.
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References
E. Zaremba, inDensity Functional Theory, J. Keller and J. L. Gazquez, eds. (Springer-Verlag, Berlin, 1983), p. 167, and references cited therein.
W. Kohn and L. J. Sham,Phys. Rev. 140:A1133 (1965).
E. Zaremba, L. Sander, H. Shore, and J. Rose,J. Phys. F 7:1763 (1977).
F. Perrot,Phys. Rev. A 25:489 (1982).
P. Jena and K. Singwi,Phys. Rev. B 17:3518 (1978).
M. Stott and E. Zaremba,Phys. Rev. B 22:1564 (1980).
H. Shore, J. Rose, and E. Zaremba,Phys. Rev. B 15:2858 (1977).
D. Ceperley and B. J. Alder,Science 231:555 (1986).
D. Ceperley and B. J. Alder,Phys. Rev. Lett. 45:566 (1980).
M. H. Kalos, M. A. Lee, and P. A. Whitlock,Phys. Rev. B 24:115 (1981).
P. Reynolds, D. Ceperley, B. J. Alder, and W. Lester,J. Chem. Phys. 77:5593 (1982).
D. Ceperley and B. J. Alder,Phys. Rev. B 36:2092 (1987).
G. Sugiyama, G. Zerah, and B. J. Alder, inStrongly Coupled Plasmas (Plenum Press, New York, 1986), p. 229.
D. Ceperley,Phys. Rev. B 18:3126 (1978).
W. Jones and N. March,Theoretical Solid State Physics, Vol.II (Wiley-Interscience, New York, 1973).
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Sugiyama, G., Terray, L. & Alder, B.J. Quantum Monte Carlo study of a proton in an electron gas. J Stat Phys 52, 1221–1232 (1988). https://doi.org/10.1007/BF01011643
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DOI: https://doi.org/10.1007/BF01011643