Soft-Sphere Model for Closed-Shell Atoms and Ions

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15 September 1968

journal article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 49 (6) , 2640-2642
https://doi.org/10.1063/1.1670463

Abstract

Using recent spectroscopic data for the alkali halide monomers, it is shown that approximate additivity rules of the form

R_{ij} {= R}_{i} {+ R}_{j}

and

ρ_{ij} {= ρ}_{i} {+ ρ}_{j}

hold for the radii and hardness parameters in the Born–Mayer repulsive potential,

U_{ij} {(R) = fρ}_{ij} \exp {[(R}_{ij} {− R) / ρ}_{ij}]

.

Keywords

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