Spin-Orbit Contribution to the Zero-Field Splitting of the Oxygen Molecule
- 1 September 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (5) , 2191-2197
- https://doi.org/10.1063/1.1676391
Abstract
The spin‐orbit contribution to the zero‐field splitting of the oxygen molecule is calculated using the complete spin‐orbit Hamiltonian. All calculations are performed at the equilibrium internuclear distance R=2.282 a.u. The spin‐orbit contribution to D is found to be 0.3125 cm−1 which is about 7% of the total D value.Keywords
This publication has 11 references indexed in Scilit:
- Fine-structure interactions in the ground state of O2Chemical Physics Letters, 1970
- Spin—Orbit Effects and the Fine Structure in the 3Σg− Ground State of O2The Journal of Chemical Physics, 1967
- Effect of Spin—Orbit Interactions on the Zero-Field Splitting of the NH RadicalThe Journal of Chemical Physics, 1966
- Remarks on ``Spin Dipole—Dipole Interaction in O2''The Journal of Chemical Physics, 1965
- Electronic States of Molecules. I. Self-Consistent Field Calculations of the Ground, Ionized, and Excited States of N2 and O2The Journal of Chemical Physics, 1965
- Spin Dipole—Dipole Interaction in O2The Journal of Chemical Physics, 1965
- Spin—Orbit Interactions and Their Effect on the Zero-Field Splitting of the Methylene RadicalThe Journal of Chemical Physics, 1965
- Theory of the Electron Spin Resonance of Benzene in the Triplet StateThe Journal of Chemical Physics, 1959
- Origin of Zero-Field Splittings in Triplet States of Aromatic HydrocarbonsThe Journal of Chemical Physics, 1959
- Theory of the Fine Structure of the Molecular Oxygen Ground StatePhysical Review B, 1955