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Resolution of a convergence problem in direct-potential-fit data analyses: Applications to GaH(XΣ) and ArH(XΣ) |
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| Authors: | Michael Rey John A. Coxon |
| Affiliation: | a Group de Spectrométrie Moléculaire et Atmosphérique, CNRS UMR 6089, BP 1039, F-51687, Reims Cedex 2, France b Department of Chemistry, Dalhousie University, Halifax, NS, Canada B3H 4J3 c Department of Chemistry, University of Waterloo, Waterloo, Ont., Canada N2L 3G1 |
| Abstract: | An internal convergence problem encountered when utilizing wavefunction propagator methods for direct-potential-fit diatomic data analyses using the Herman-Asgharian Hamiltonian [R.M. Herman, A. Asgharian, J. Mol. Spectrosc. 19 (1966) 305] is described and corrected. Improved Hamiltonian parameters for the ground states of GaH and ArH+ are reported. |
| Keywords: | Direct potential fit Data inversion GaH ArH+ Herman-Asgharian Hamiltonian |
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