Critical nuclear charges for n-electron atoms

Alexei V. Sergeev, Sabre Kais

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

One-particle model with a spherically-symmetric screened Coulomb potential is proposed to describe the motion of a loosely bound electron in a multielectron atom when the nuclear charge, which is treated as a continuous parameter, approaches its critical value. The critical nuclear charge, Zc, is the minimum charge necessary to bind N electrons. Parameters of the model are chosen to meet known binding energies of the neutral atom and the isoelectronic negative ion. This model correctly describes the asymptotic behavior of the binding energy in the vicinity of the critical charge, gives accurate estimation of the critical charges in comparison with ab initio calculations for small atoms, and is in full agreement with the prediction of the statistical theory of large atoms. Our results rule out the stability of doubly charged atomic negative ions in the gas phase. Moreover, the critical charge obeys the proposed inequality, N - 2 ≤ Zc ≤ N - 1. We show that in the presence of a strong magnetic field many atomic dianions become stable.

Original languageEnglish
Pages (from-to)533-542
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume75
Issue number4-5
Publication statusPublished - 1 Dec 1999
Externally publishedYes

Fingerprint

negative ions
Atoms
Electrons
binding energy
Binding energy
atoms
N electrons
electrons
Negative ions
Coulomb potential
neutral atoms
vapor phases
Gases
Magnetic fields
predictions
magnetic fields

Keywords

  • Critical nuclear charges
  • N-electron atoms
  • Stability of atomic dianions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Critical nuclear charges for n-electron atoms. / Sergeev, Alexei V.; Kais, Sabre.

In: International Journal of Quantum Chemistry, Vol. 75, No. 4-5, 01.12.1999, p. 533-542.

Research output: Contribution to journalArticle

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