In this paper, the optical properties of CeV2 color center of diamond are calculated by using VASP software package based on the first principles method of density functional theory The static dielectric function of the color center is determined to be 192 theoretically The refractive index of color center is calculated, and the refractive index of color center is 438 The extinction coefficient and absorption coefficient are calculated, and it is found that the extinction coefficient and absorption coefficient of color center decrease obviously The reflection coefficient is calculated, and it is found that the reflection coefficient of the color center is first high and then low, and the transmittance of the color center decreases in the low energy region and increases in the high energy region By calculating the energy loss coefficient, it is found that the energy loss coefficient of the color center increases Because of the high energy loss, it is very important to excite the color center in the range of excitation wavelength length We have verified the optical properties of CeV2 color center of diamond theoretically, which provides a theoretical basis for the subsequent experimental detection