BIROn - Birkbeck Institutional Research Online

    Relativistic corrections for calculating ionization energies of one- to five-electron isoelectronic atomic ions

    Lang, Peter F. and Smith, Barry C. (2013) Relativistic corrections for calculating ionization energies of one- to five-electron isoelectronic atomic ions. International Scholarly Research Notices: Inorganic Chemistry , ISSN 2356-7872.

    Full text not available from this repository.

    Abstract

    We have previously proposed a simple empirical equation to reproduce the literature values of the ionization energies of one-electron to four-electron atomic ions with very good agreement. However, we used a potential energy approach in our equation, which has no theoretical basis. This paper discusses an alternative kinetic energy expression for one to five electrons with simple corrections for relativistic and Lamb shift effects and for two- to-five electron ions additional effects including electron relaxation and residual interactions. For calculated values of one-electron (hydrogen-like) and two electron (helium like) atomic ions, the difference with the literature values is typically 0.001% or less. Agreement with the literature values for three-, four-, and five-electron ions is 99% or better. First electron affinities calculated by our expression also agree fairly well with generally recommended values. These results show that there is strong evidence that our methodology can be developed to reliably predict, with fairly good accuracy, ionization energies of multielectron atomic ions that have not been measured.

    Metadata

    Item Type: Article
    Additional Information: Article ID 689040
    School: School of Science > Biological Sciences
    Depositing User: Sarah Hall
    Date Deposited: 04 Feb 2016 15:21
    Last Modified: 04 Feb 2016 15:21
    URI: https://eprints.bbk.ac.uk/id/eprint/14212

    Statistics

    Downloads
    Activity Overview
    0Downloads
    114Hits

    Additional statistics are available via IRStats2.

    Archive Staff Only (login required)

    Edit/View Item Edit/View Item