Atoms embedded in an electron gas: Immersion energies

M. J. Puska*, R. M. Nieminen, M. Manninen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

307 Citations (Scopus)
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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.

Original languageEnglish
Pages (from-to)3037-3047
Number of pages11
JournalPhysical Review B
Volume24
Issue number6
DOIs
Publication statusPublished - 1981
MoE publication typeA1 Journal article-refereed

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