Resonance states of atomic anions

Alexei V. Sergeev, Sabre Kais

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

We study destabilization of an atom in its ground state with decrease of its nuclear charge. By analytic continuation from bound to resonance states, we obtain complex energies of unstable atomic anions with nuclear charge that is less than the minimum "critical" charge necessary to bind N electrons. We use an extrapolating scheme with a simple model potential for the electron, which is loosely bound outside the atomic core. Results for O2- and S2- are in good agreement with earlier estimates. Alternatively, we use the Hylleraas basis variational technique with three complex nonlinear parameters to find accurately the energy of two-electron atoms as the nuclear charge decreases. Results are used to check the less accurate one-electron model.

Original languageEnglish
Pages (from-to)255-261
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume82
Issue number5
DOIs
Publication statusPublished - 20 Apr 2001
Externally publishedYes

Fingerprint

Anions
anions
Electrons
N electrons
electrons
destabilization
Variational techniques
Atoms
atoms
Ground state
ground state
energy
estimates

Keywords

  • Complex rotation method
  • Ionization energy
  • Negative ions
  • Resonance states
  • Screened Coulomb potential

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Resonance states of atomic anions. / Sergeev, Alexei V.; Kais, Sabre.

In: International Journal of Quantum Chemistry, Vol. 82, No. 5, 20.04.2001, p. 255-261.

Research output: Contribution to journalArticle

Sergeev, Alexei V. ; Kais, Sabre. / Resonance states of atomic anions. In: International Journal of Quantum Chemistry. 2001 ; Vol. 82, No. 5. pp. 255-261.
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