The calculation of potential curves for diatomic molecules from experimental data
- 1 June 1964
- journal article
- Published by IOP Publishing in Proceedings of the Physical Society
- Vol. 83 (6) , 1045-1049
- https://doi.org/10.1088/0370-1328/83/6/318
Abstract
A method of calculating potential energy curves for diatomic molecules from experimental data is described which depends upon direct numerical integration of Klein's equations, and avoids the use of analytical representations of the energy levels. It is of particular use in cases where data are available for a large number of vibrational levels converging to the dissociation limit. The procedure is tested by a calculation of the potential energy curve for the state B 3Σu- of O2. In contrast with the results of other calculations, no anomalous curvature is found in the r (minimum) limb.Keywords
This publication has 13 references indexed in Scilit:
- Potential energy curve for the ground state of the iodine moleculeTransactions of the Faraday Society, 1964
- Potential Curves and Rotational Perturbations of CNThe Journal of Chemical Physics, 1962
- The ultra-violet spectra of HF and DFProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1959
- THE LYMAN BANDS OF MOLECULAR HYDROGENCanadian Journal of Physics, 1959
- Resonance Forces at Large SeparationsProceedings of the Physical Society. Section A, 1956
- FINE STRUCTURE OF THE SCHUMANN-RUNGE BANDS NEAR THE CONVERGENCE LIMIT AND THE DISSOCIATION ENERGY OF THE OXYGEN MOLECULECanadian Journal of Physics, 1954
- The calculation of potential-energy curves from band-spectroscopic dataProceedings of the Physical Society, 1947
- Rotational Structure of the Schumann-Runge Bands of Oxygen in the Vacuum RegionPhysical Review B, 1935
- Graphische Darstellung einiger bandenspektroskopischer ErgebnisseThe European Physical Journal A, 1932
- Zur Berechnung von Potentialkurven f r zweiatomige Molek le mit Hilfe von SpektraltermenThe European Physical Journal A, 1932