### Abstract

By augmenting Hartree-Fock (HF) results for nonrelativistic ground-state energies of N-electron atoms by analytic expressions for the D -→ ∞ limit derived by Loeser, we obtain a simple renormalization procedure which substantially enhances accuracy. A renormalized nuclear charge, Z _{∞}, is found which renders the dimensionally scaled energy at D → ∞ a good approximation to that for D = 3 with the actual Z. The renormalized charge is readily evaluated by comparing the HF energy (or any other input approximation) with its D → ∞ limit. For atoms with any N or Z, the computations are elementary, requiring little more than solution of a quartic equation. With only HF input in addition to the D →; ∞ limit, the renormalization procedure yields about 2/3 or more of the correlation energy, for neutral atoms with N = Z = 2 → 86. Further improvements in the method seem feasible, but will require better means to incorporate shell-structure in the large-D limit.

Original language | English |
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Pages (from-to) | 5184-5196 |

Number of pages | 13 |

Journal | The Journal of Chemical Physics |

Volume | 99 |

Issue number | 7 |

DOIs | |

Publication status | Published - 1 Jan 1993 |

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### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

### Cite this

*The Journal of Chemical Physics*,

*99*(7), 5184-5196. https://doi.org/10.1063/1.466020