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Название: Quantum Monte Carlo Study of a Proton in an Electron Gas
Авторы: Sugiyama G., Terray L., Alder B.J.
Journal of Statistical Physics, Vol. 52, Nos. 5/6, 1988. p. 1221-1232.
The polarization ofjellium 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