RADIAL BEHAVIOR OF THE AVERAGE LOCAL IONIZATION ENERGIES OF ATOMS

• The radial behavior of the average local ionization energy IBAR(r) has been investigated for the atoms He-Kr, using ab initio Hartree-Fock atomic wave functions. IBAR(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 IBAR(r) may be a meaningful measure of local polarizabilities in atoms and molecules.

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NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

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