OPTIKA ATMOSFERY I OKEANA JOURNAL
V.E. ZUEV INSTITUTE OF ATMOSPHERIC OPTICS
Vol. 20, issue 01, article # 4
pdf Buldakov M. A., Kalugina Yu. N., Koryukina E. V., Cherepanov V. N. Theoretical study of the OH radical dipole moment function at short internuclear distances. // Atmospheric and oceanic optics. 2007. V. 20. No. 01. P. 15-18.Copy the reference to clipboard
Abstract:
The electric dipole moment function of the OH radical in the ground electronic state X2? was ab initio calculated at short internuclear distances in terms of the united atom model. Calculating formulas were obtained in the first order of the perturbation theory, where matrix elements of perturbation and dipole moment operators were calculated within the LS- coupling approximation at wave functions of the united atom F. Energies and wave functions of the ground and excited states of the F atom for the 1S, 3P, and 1D cores were calculated using the Hartree–Fock self-consistent field method (HFSCF). The obtained results were used in refinement of the semiempirical dipole moment function of the OH radical.