Approach to Inversion Design of Dielectric Material Based on the First-Principle

摘要： The ?rst-principle is an e?ective method for the material property calculation. One inversion design idea of dielectric material based on the ?rst-principle was put forward. In this kind of material design thought, the speci?c demanded dielectric property of material is the starting point of the whole design course. The atomic structure characteristic of the material is solved using the inversion model based on the ?rst-principle. And the key issues needing researching were discussed, these problems were quantized structure of electromagnetic and optic ?eld, the quantized polarization theory of dielectric material, the uniform calculation method of dielectric property and the dielectric material inversion model.