Atoms embedded in an electron gas: Immersion energies

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1981
Major/Subject
Mcode
Degree programme
Language
en
Pages
3037-3047
Series
Physical Review B, Volume 24, Issue 6
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.
Description
Keywords
atoms, electron gas
Other note
Citation
Puska, M. J. & Nieminen, Risto M. & Manninen, M. 1981. Atoms embedded in an electron gas: Immersion energies. Physical Review B. Volume 24, Issue 6. 3037-3047. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.24.3037.