Maximum radius of convergence perturbation theory: Test calculations on Be, Ne, H₂ and HF

Maximum radius of convergence (MAXR_c) 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. MAXR_c 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 MAXR_c.