The X 1Σ+g state vibration-rotational energies of the H2, HD, and D2 molecules
- 15 May 1983
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (10) , 6173-6181
- https://doi.org/10.1063/1.444580
Abstract
The energies of all the bound vibrational states of H2, HD, and D2 with rotational quantum numbers up to J=5 are calculated. Nonadiabatic, relativistic, and radiative corrections are taken into account with an accuracy of the order of 0.01 cm−1. The resulting theoretical ground state dissociation energies are 36 118.01, 36 405.73, and 36 748.32 cm−1 for H2, HD, and D2, respectively.Keywords
This publication has 23 references indexed in Scilit:
- Numerical integration of an inhomogeneous boundary value problemJournal of Computational Physics, 1981
- The vibration–rotational energies of the hydrogen molecular ion HD+The Journal of Chemical Physics, 1980
- Rigorous theoretical investigation of the ground state ofPhysical Review A, 1978
- Application of the effective vibration-rotation hamiltonian to H2and D2Molecular Physics, 1977
- On the computation of dipole transitions in the HD molecule. Part IICanadian Journal of Physics, 1976
- Improved potential energy curve and vibrational energies for the electronic ground state of the hydrogen moleculeJournal of Molecular Spectroscopy, 1975
- Vibrational spacings for H2+, D2+and H2Molecular Physics, 1973
- Radiative Corrections to the Energies of Atoms and MoleculesPhysical Review B, 1966
- ON THE VIBRATIONAL FREQUENCIES OF THE HYDROGEN MOLECULECanadian Journal of Physics, 1966
- Nonadiabatic Theory for Diatomic Molecules and Its Application to the Hydrogen MoleculeReviews of Modern Physics, 1963