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Approximate polynomial expressions for Rydberg-Klein-Rees curves of diatomic covalent molecules

Journal of Mathematical Chemistry, ISSN: 0259-9791, Vol: 2, Issue: 3, Page: 217-226
1988
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  • Citations
    4
    • Citation Indexes
      4

Article Description

A systematic method for fitting Rydberg -Klein -Rees (RKR) data with polynomial expressions is presented. The procedure is based on a change of variables that takes into account the form of the potential energy curve for large internuclear distances. The coefficients of the polynomial am determined by least squares. Results are presented for CO, HgH, and Ar. The form of the potential energy curves obtained is quite reasonable and the dissociation energies calculated are in satisfactory agreement with experimental data. © 1988 J.C. Baltzer AG, Scientific Publishing Company.

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