A modified Tang-Toennies model for ion-atom potential curves

A modification of the Tang–Toennies potential model suitable for representing heteronuclear ion–atom interactions is proposed. It has the form V(r) =A exp(−br) −B exp(−br/2) −∑3n=2  f2n(r) C2n  r−2n with f2n(r) =1−[∑2nk=0  (br)k/k!]  exp(−br) and displays realistic behavior over a wide range of r. I...

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Bibliographic Details
Published in:The Journal of chemical physics 1986-12, Vol.85 (12), p.7497-7498
Main Author: SISKA, P. E
Format: Article
Language:English
Subjects:
Atomic and molecular collision processes and interactions
Atomic and molecular physics
Exact sciences and technology
Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions
Physics
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Summary:A modification of the Tang–Toennies potential model suitable for representing heteronuclear ion–atom interactions is proposed. It has the form V(r) =A exp(−br) −B exp(−br/2) −∑3n=2  f2n(r) C2n  r−2n with f2n(r) =1−[∑2nk=0  (br)k/k!]  exp(−br) and displays realistic behavior over a wide range of r. It provides an accurate representation of both spectroscopic data and potentials derived from mobility. Parameters are tabulated for HeNe+, HeAr+, HeLi+, and XeCl−.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.451344