Dissociation Energy and Vibrational Terms of Ground-State (X 1Σg+) Hydrogen
- 15 November 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (10) , 4312-4321
- https://doi.org/10.1063/1.1669876
Abstract
In an attempt to elucidate the discrepancy between the theoretical and experimental dissociation energies of H2, accurate binding energies and term differences have been computed for the 15 vibrational levels using the Kolos and Wolniewicz clamped‐nuclei potential with its various corrections. The results suggest possible interpretations of the discrepancy. In one of these an extrapolation method is introduced which combines experimental term differences with computed binding energies for the uppermost levels to yield the dissociation energy; this result is in accord with the experimental value of Herzberg and Monfils. The effect of uncertainties in the values of the natural constants is considered. Apparent inconsistencies between previously computed vibrational energies are explained.Keywords
This publication has 27 references indexed in Scilit:
- Exchange and Coulomb Energy of H2 Determined by Various Perturbation MethodsThe Journal of Chemical Physics, 1968
- Confirmation of the Discrepancy Between the Theoretical and Experimental Ground-State Energies ofPhysical Review Letters, 1968
- Erratum: Iterative Method for Solution of the One-Dimensional Wave Equation: Eigenvalues and Eigenfunctions for the L—J (12, 6) and Exponential (α, 6) Interatomic PotentialsThe Journal of Chemical Physics, 1967
- Calculated Spectrum of Quasibound States for H2(1Σg+) and Resonances in H + H ScatteringThe Journal of Chemical Physics, 1967
- The Nature of Intermolecular ForcesAdvances in Chemical Physics, 1967
- Properties of the 1Σg+ State of H2 Calculated from an Accurate Adiabatic PotentialThe Journal of Chemical Physics, 1966
- Radiative Corrections to the Energies of Atoms and MoleculesPhysical Review B, 1966
- ON THE VIBRATIONAL FREQUENCIES OF THE HYDROGEN MOLECULECanadian Journal of Physics, 1966
- Our Knowledge of the Fundamental Constants of Physics and Chemistry in 1965Reviews of Modern Physics, 1965
- FORBIDDEN TRANSITIONS IN DIATOMIC MOLECULES: I. THE QUADRUPOLE ROTATION–VIBRATION SPECTRUM OF H2Canadian Journal of Research, 1950