Pseudopotential spin-density-functional calculation of the electronic properties of small lithium and sodium clusters

Roberto Car, J. L. Martins

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

We perform self-consistent pseudopotential calculations for the neutral clusters Lin, Nanand the singly ionized clusters Lin+, Nan+ with n ≤ 4. We find the equilibrium geometries, and calculate the binding energies and the ionization potentials. Our results show good agreement with the existing experimental data and the available results of much more elaborate configuration interaction calculations.

Original languageEnglish (US)
Pages (from-to)280-286
Number of pages7
JournalSurface Science
Volume106
Issue number1-3
DOIs
StatePublished - May 1 1981
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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