Atoms embedded in an electron gas: Immersion energies

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

Tutkijat

Organisaatiot

  • University of Jyväskylä
  • Nordita

Kuvaus

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.

Yksityiskohdat

AlkuperäiskieliEnglanti
Sivut3037-3047
Sivumäärä11
JulkaisuPhysical Review B
Vuosikerta24
Numero6
TilaJulkaistu - 1981
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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