Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ion
- 18 February 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 66 (7) , 880-882
- https://doi.org/10.1103/physrevlett.66.880
Abstract
A perturbation theory for determining the electron-nuclear coupling corrections to the adiabatic expectation values of operators of molecular systems is developed and applied to the hyperfine Hamiltonian of the hydrogen molecular ion. The expectation values of the Fermi contact parameter for the rotation-vibration states N=1, v=4–8 are compared with experimental results. Previous adiabatic expectation values differ from the empirical values by about 600 kHz. Inclusion of the first-order corrections reduces the discrepancies to less than 9 kHz.Keywords
This publication has 10 references indexed in Scilit:
- Spectroscopy of the hydrogen molecular ionJournal of Physics B: Atomic, Molecular and Optical Physics, 1989
- Vibration-rotation spectroscopy of the HD+ion near the dissociation limitMolecular Physics, 1985
- Hyperfine structure in the hydrogen molecular ionChemical Physics Letters, 1978
- Accurate expectation values for H2+(and its isotopes) and H2Molecular Physics, 1978
- Hyperfine Structure in the Infrared Spectrum of HDPhysical Review Letters, 1977
- Hyperfine Structure in the Molecular IonPhysical Review Letters, 1969
- Some accurate results for three-particle systemsActa Physica Academiae Scientiarum Hungaricae, 1969
- Born—Oppenheimer Separation for Three-Particle Systems. I. TheoryThe Journal of Chemical Physics, 1966
- The hyperfine structure of the hydrogen molecular ionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1960
- Adiabatic coupling between electronic and nuclear motion in moleculesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956