Atoms embedded in an electron gas: Immersion energies
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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en
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11
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Physical Review B, Volume 24, issue 6, pp. 3037-3047
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
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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