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Quantum Monte Carlo study of a proton in an electron gas (1988)

Sugiyama, G. ; Terray, L. ; Alder, B. J.

Springer

Journal of statistical physics 52 (1988), S. 1221-1232

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ISSN: 1572-9613

Keywords: Jellium ; proton impurity ; Friedel oscillations ; quantum Monte Carlo

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01011643

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