Analytical density-dependent representation of Hartree - Fock atomic potentials

@article{Pacios1993AnalyticalDR,
  title={Analytical density-dependent representation of Hartree - Fock atomic potentials},
  author={Luis Fern{\'a}ndez Pacios},
  journal={Journal of Computational Chemistry},
  year={1993},
  volume={14},
  pages={410-421}
}
A procedure to represent atomic electron charge densities (L. Fernandez Pacios, J. Phys. Chem., 95, 10653 (1991); J. Phys. Chem., 96, 7294 (1992)l is here generalized to obtain simple analytical functions for potential energy contributions. Based upon suitable functions to describe atomic electron densities in a physically meaningful form, the procedure is… CONTINUE READING