### 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, Z_{c}, 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 ≤ Z_{c} ≤ N - 1. We show that in the presence of a strong magnetic field many atomic dianions become stable.

Original language | English |
---|---|

Pages (from-to) | 533-542 |

Number of pages | 10 |

Journal | International Journal of Quantum Chemistry |

Volume | 75 |

Issue number | 4-5 |

Publication status | Published - 1 Dec 1999 |

Externally published | Yes |

### Fingerprint

### Keywords

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

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry

### Cite this

*International Journal of Quantum Chemistry*,

*75*(4-5), 533-542.

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

Research output: Contribution to journal › Article

*International Journal of Quantum Chemistry*, vol. 75, no. 4-5, pp. 533-542.

}

TY - JOUR

T1 - Critical nuclear charges for n-electron atoms

AU - Sergeev, Alexei V.

AU - Kais, Sabre

PY - 1999/12/1

Y1 - 1999/12/1

N2 - 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.

AB - 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.

KW - Critical nuclear charges

KW - N-electron atoms

KW - Stability of atomic dianions

UR - http://www.scopus.com/inward/record.url?scp=0001530336&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001530336&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0001530336

VL - 75

SP - 533

EP - 542

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 4-5

ER -