## Abstract

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 H_{2} 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}.

Original language | English |
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Pages (from-to) | 185-189 |

Number of pages | 5 |

Journal | Theoretical Chemistry Accounts |

Volume | 110 |

Issue number | 3 |

DOIs | |

Publication status | Published - Oct 1 2003 |

Externally published | Yes |

## All Science Journal Classification (ASJC) codes

- Physical and Theoretical Chemistry

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