### Abstract

Analytic expressions for the D → ∞ limit previously evaluated for one- and two-electron diatomic molecules are compared with the familiar D = 3 potentials as functions of the internuclear distance R for H_{2}
^{+}, H_{2}, HHc^{+}, and He_{2}
^{2+}. We find that the D = 3 potential can be obtained from the large-D limit simply by E_{3}(R) = E_{infinity}(R)/G(R), to good approximation, where the function G(R) has the same form for the four molecules. Furthermore, 1. G(R) has a corresponding-states property; when reduced by two parameters, it becomes the same function for all four molecules, nearly proportional to x^{2}e^{-2x}, with x the scaled internuclear distance. This suggests that the pseudoclassical D → infinity limit may provide a useful reference for analysis of intermolecular potentials.

Original language | English |
---|---|

Pages (from-to) | 11015-11017 |

Number of pages | 3 |

Journal | Journal of Physical Chemistry |

Volume | 98 |

Issue number | 43 |

Publication status | Published - 1 Oct 1994 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Engineering(all)
- Physical and Theoretical Chemistry

### Cite this

_{2}

^{+}, H

_{2}, HHe

^{+}, and He

_{2}+.

*Journal of Physical Chemistry*,

*98*(43), 11015-11017.