Electronic structure of BaMgF₄ crystal containing F color centers is studied within the framework of fully relativistic self-consistent Dirac-Slater theory,using a numerically discrete variational(DV-X_α) method.2p state of H atom is added into the program.It is concluded that energy levels of F color center are located in forbidden band of the crystal.Optical transition energy from ground state to excited state of the F color center is 5.12 eV,which corresponds to 242 nm absorption bands.They are well consisted with experiments.Absorption bands resulted from an F color center in BaMgF₄ crystal are located in 236-274 nm.

Electronic structures of possible F-type color centers in PbMoO₄ crystals are studied within the framework of a fully relativistic selfconsistent Dirac-Slater theory with a numerically discrete variational (DV-Xα) method. The results show that:F and F⁺ centers result in donor energy levels in forbidden band; optical transition energies are 2.141 eV and 2.186 eV, corresponding to 518 nm and 567 nm absorption, respectivly. The 580 nm absorption band after photo-chromic effect results from F-type color centers in PbMoO₄.