Abstract
The radial behavior of the average local ionization energy Ī(r) has been investigated for the atoms He-Kr, using ab initio Hartree-Fock atomic wave functions, Ī(r) is found to decrease in a stepwise manner with the inflection points serving effectively to define boundaries between electronic shells. There is a good inverse correlation between polarizability and the ionization energy in the outermost region of the atom, suggesting that Ī(r) may be a meaningful measure of local polarizabilities in atoms and molecules.
Original language | English |
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Pages (from-to) | 6699-6704 |
Number of pages | 6 |
Journal | The Journal of Chemical Physics |
Volume | 95 |
Issue number | 9 |
Publication status | Published - 1991 |
Externally published | Yes |