Comment on “Four-component relativistic density functional calculations of heavy diatomic molecules” [J. Chem. Phys. 112, 3499 (2000)

Abstract

The present solid analysis shows that the results by Varga et al. [J. Chem. Phys. 112, 3499 (2000)] are not benchmark to calibrate more approximate relativistic approaches. The convergence of the multipolar expansion of the charge density to evaluate the Hartree potential is demonstrated.