Based on the 3D electron's radial wave function of Co 2+ free ion,a Nephelauxetic effect modifying factor to modify the radial wave function is introduced when Co 2+ cations are put into the crystal field of Zn 1-x Co x Se.With the modified wave functions,the optical transitions for Zn 1-x Co x Se crystals are calculated.Moreover,based on the first principle of physics,the influences of high pressure to the Nephelauxetic effect modifying factor is considered,and the high pressure blue shift for the Zn 1-x Co x Se crystal absorption spectra are calculated and a shift rate of d E /d p =0 45meV/GPa is obtained.
