### 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.

**Large-dimension limit yields generic reduced potential curves for H _{2}
^{+}, H_{2}, HHe^{+}, and He_{2}+.** / Kais, S.; Germann, T. C.; Herschbach, D. R.

Research output: Contribution to journal › Article

_{2}

^{+}, H

_{2}, HHe

^{+}, and He

_{2}+',

*Journal of Physical Chemistry*, vol. 98, no. 43, pp. 11015-11017.

_{2}

^{+}, H

_{2}, HHe

^{+}, and He

_{2}+. Journal of Physical Chemistry. 1994 Oct 1;98(43):11015-11017.

}

TY - JOUR

T1 - Large-dimension limit yields generic reduced potential curves for H2 +, H2, HHe+, and He2+

AU - Kais, S.

AU - Germann, T. C.

AU - Herschbach, D. R.

PY - 1994/10/1

Y1 - 1994/10/1

N2 - 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 H2 +, H2, HHc+, and He2 2+. We find that the D = 3 potential can be obtained from the large-D limit simply by E3(R) = Einfinity(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 x2e-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.

AB - 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 H2 +, H2, HHc+, and He2 2+. We find that the D = 3 potential can be obtained from the large-D limit simply by E3(R) = Einfinity(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 x2e-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.

UR - http://www.scopus.com/inward/record.url?scp=0028521701&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0028521701&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0028521701

VL - 98

SP - 11015

EP - 11017

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

SN - 0022-3654

IS - 43

ER -