Atoms embedded in an electron gas

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1981
Major/Subject
Mcode
Degree programme
Language
en
Pages
11
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.
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Citation
Puska , M J , Nieminen , R M & Manninen , M 1981 , ' Atoms embedded in an electron gas : Immersion energies ' , Physical Review B , vol. 24 , no. 6 , pp. 3037-3047 . https://doi.org/10.1103/PhysRevB.24.3037