Correlation Correction Study of CH, NH, and OH

摘要

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 the2&Pgr;,4&Sgr;—, and2&Dgr; states of CH, the3&Sgr;—state of NH, and the2&Pgr; 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.