Electric Field Effects in Electron-Nuclear Double-Resonance Spectroscopy ofFCenters. II. Theoretical Considerations

Abstract
Three separate theoretical estimates of the electric field perturbations of the isotropic hyperfine interaction between the F center's electron and its nearest-neighbor nuclei are presented. Calculations of this effect were made for the first-, second-, and fourth-nearest-neighbor interactions in KCl, KBr, NaCl, and LiF. Simple hydrogenic, LCAO (linear combination of atomic orbitals), and semicontinuum wave functions were used. Comparison is made with the experimental data for KCl, KBr, and NaCl.