Abstract
An analytical model for the diatomic potential energy function that was recently tested as a universal function (Hajigeorgiou, 2010) has been further modified and tested as a suitable model for direct-potential-fit analysis. Applications are presented for the ground electronic states of three diatomic molecules: oxygen, carbon monoxide, and hydrogen fluoride. The adjustable parameters of the extended Lennard-Jones potential model are determined through nonlinear regression by fits to calculated rovibrational energy term values or experimental spectroscopic line positions. The model is shown to lead to reliable, compact and simple representations for the potential energy functions of these systems and could therefore be classified as a suitable and attractive model for direct-potential-fit analysis.
| Original language | English |
|---|---|
| Pages (from-to) | 4-13 |
| Number of pages | 10 |
| Journal | Journal of Molecular Spectroscopy |
| Volume | 330 |
| DOIs | |
| Publication status | Published - 1 Dec 2016 |
Keywords
- Analytical diatomic potential
- Carbon monoxide
- Direct-potential-fit
- Extended Lennard-Jones potential
- Hydrogen fluoride
- Oxygen