Excited state electron affinities of NaF, LiCl, and NaCl

Ludwik Adamowicz, Rodney J. Bartlett

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.

Original languageEnglish (US)
Pages (from-to)313-316
Number of pages4
JournalThe Journal of Chemical Physics
Volume88
Issue number1
DOIs
StatePublished - Jan 1 1988

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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