Title of article
Atomic size, ionization energy, polarizability, asymptotic behavior, and the Slater–Zener model
Author/Authors
DeKock، نويسنده , , Roger L. and Strikwerda، نويسنده , , John R. and Yu، نويسنده , , Eric X. Jensen، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
7
From page
120
To page
126
Abstract
We employ the Slater–Zener model to relate effective atomic radius to ionization energy: r e = na 0 I H / I ¯ v ; n is the principal quantum number of the valence shell, a0 is the Bohr radius, IH is the ionization energy of the hydrogen atom, and I ¯ v is the average valence ionization energy. Along a given row in the periodic table, these semi-empirical radii correlate linearly with theoretical Hartree–Fock radii, semi-empirical radii derived from static dipole polarizability, and empirical covalent radii. Correlation of radii column by column is not as accurate, but still respectable. The asymptotic electron density varies as exp ( - 2 2 I ¯ v r ) , which reverts to exp ( - 2 2 I 0 r ) upon invoking the frozen orbital approximation.
Journal title
Chemical Physics Letters
Serial Year
2012
Journal title
Chemical Physics Letters
Record number
1933712
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