Atoms embedded in an electron gas: Immersion energies
- 15 September 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 24 (6) , 3037-3047
- https://doi.org/10.1103/physrevb.24.3037
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.Keywords
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