Correlation Correction Study of CH, NH, and OH
- 1 December 1958
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 29 (6) , 1287-1297
- https://doi.org/10.1063/1.1744711
Abstract
The semiempirical intra‐atomic correlation correction (ICC) of Hurley and a configuration‐interaction (CI) calculation are applied to previous single configuration calculations of the ground states of CH, NH, and OH. Results are reported for the 2Π, 4Σ—, and 2Δ states of CH, the 3Σ— state of NH, and the 2Π state of OH. The binding energies and dipole moments obtained for the hydrides are compared with experimental values and with the results of a similar calculation by Hurley of the ground states of these molecules. Results of a calculation of the Fermi contact term of the magnetic hyperfine interaction are also given.Keywords
This publication has 22 references indexed in Scilit:
- Electronic Structure of Some Diatomic HydridesThe Journal of Chemical Physics, 1958
- Configuration Interaction Study of the Electronic Structure of the OH Radical by the Atomic and Molecular Orbital MethodsThe Journal of Chemical Physics, 1958
- The Bindng Energy of the Nitrogen MoleculeProceedings of the Physical Society. Section A, 1956
- On the Method of Atoms in Molecules II: An Intra-Atomic Correlation CorrectionProceedings of the Physical Society. Section A, 1956
- On the Method of Atoms in MoleculesProceedings of the Physical Society. Section A, 1955
- Excitation energies of Li2-moleculePhysica, 1954
- Hyperfine Splittings in Polyatomic Free RadicalsThe Journal of Chemical Physics, 1954
- Atoms in molecules and crystalsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951
- The electronic structure of the oxygen moleculeProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951