Vibrational levels of HD+near dissociation
- 10 June 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 64 (2), 177-189
- https://doi.org/10.1080/00268978800100153
Abstract
The transformed Schrödinger equation, in which the g/u symmetry breaking terms appear in the potential energy, is solved in an adiabatic approximation to give vibration-rotation energies and vibrationally averaged Fermi contact parameters near dissociation for the ground and first excited states of HD+. The electronic part of the equation is solved variationally, using basis functions modelled on the Hylleraas expansion. These results are found to be in close agreement with those from a coupled states calculation, for which improved values for other hyperfine parameters are also given. By extending the range of integration in the numerical solution of the vibration-rotation equation, the highest bound levels of HD+ are found to be v=22, J=1 for the ground electronic state and v=1, J=0 for the first excited state.Keywords
This publication has 15 references indexed in Scilit:
- A transformed hamiltonian theory for HD+near dissociationMolecular Physics, 1988
- Anab initiostudy of third-order non-linear optical properties of H+2Molecular Physics, 1987
- Spectroscopic observation of the highest vibrational level of the HD+(2Σ+) moleculeThe Journal of Chemical Physics, 1987
- Symmetry breaking effects in HD+Molecular Physics, 1987
- On the higher vibration-rotational levels of HD+and H2+Molecular Physics, 1986
- Improved adiabatic calculations of the vibrational-rotational states ofPhysical Review A, 1986
- Vibration-rotation spectroscopy of the HD+ion near the dissociation limitMolecular Physics, 1985
- Non-adiabatic calculations for H2+, HD+and D2+Molecular Physics, 1974
- Some accurate results for three-particle systemsActa Physica Academiae Scientiarum Hungaricae, 1969
- Über die Elektronenterme des WasserstoffmolekülsThe European Physical Journal A, 1931