Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
95 (1991), S. 6699-6704
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The radial behavior of the average local ionization energy I¯(r) has been investigated for the atoms He–Kr, using ab initio Hartree–Fock atomic wave functions. I¯(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 I¯(r) may be a meaningful measure of local polarizabilities in atoms and molecules.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.461539
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