Abstract
Maximum radius of convergence (MAXRc) perturbation theory
[(2000) Journal of Chemical Physics 112:6997] is tested on the
beryllium and neon atoms using calculations that are truncated in high
orders. Calculations are also performed on the ground-state
potential-energy curves of H2 and HF. The neon atom
calculations use the 3-21G basis set with added diffuse s and p
functions. All other calculations use the STO-3G minimum basis
set. MAXRc perturbation theory consistently performs well. The
Epstein–Nesbet and Møller–Plesset perturbative
expansions frequently diverge or exhibit slow convergence compared to
the expansions obtained from MAXRc.