Journal article
Smooth models for the Coulomb potential
Abstract
Smooth model potentials with parameters selected to reproduce the spectrum of one-electron atoms are used to approximate the singular Coulomb potential. Even when the potentials do not mimic the Coulomb singularity, much of the spectrum is reproduced within the chemical accuracy. For the hydrogen atom, the smooth approximations to the Coulomb potential are more accurate for higher angular momentum states. The transferability of the model …
Authors
González-Espinoza CE; Ayers PW; Karwowski J; Savin A
Journal
Theoretical Chemistry Accounts, Vol. 135, No. 12,
Publisher
Springer Nature
Publication Date
12 2016
DOI
10.1007/s00214-016-2007-5
ISSN
1432-881X