Atoms embedded in an electron gas: Immersion energies

M. J. Puska, R. M. Nieminen, and M. Manninen
Phys. Rev. B 24, 3037 – Published 15 September 1981
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Abstract

Energies of atoms, H through Ar, embedded in a homogeneous electron gas are calculated within the density-functional scheme as a function of the electron-gas density. The energy-versus-density curves and the induced densities of states are analyzed and discussed in terms of the interaction properties of an atom with its environment. The low-density limit of the immersion energy is related to the electron-atom scattering length. The results should prove useful in detailed investigations of the recently suggested "quasiatom" or "effective-medium" approaches to chemical binding. The lowest-order estimates of the binding energies of diatomic molecules and chemisorbed atoms are obtained.

  • Received 24 March 1981

DOI:https://doi.org/10.1103/PhysRevB.24.3037

©1981 American Physical Society

Authors & Affiliations

M. J. Puska

  • Department of Technical Physics, Helsinki University of Technology, 02150 Espoo 15, Finland

R. M. Nieminen

  • Department of Physics, University of Jyväskylä, 40720 Jyväskylä 72, Finland

M. Manninen

  • NORDITA, Blegdamsvej 17, 2100 Copenhagen, Denmark

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Vol. 24, Iss. 6 — 15 September 1981

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