Rigged QED Analysis of Local Dielectric Response

抄録

The simulation code to study the dielectric property of nuclei and electrons in nanosize materials based on Rigged QED is developed in our group. In this article, the progress of our code is reported. As the first target, the dependence of dielectric response on the frequency of external electric fields is shown for simple atoms. In addition, for its basic data, the electronic contribution to local polarizability of molecules with covalent bonds, particularly some simple hydride, such as CH₄ and NH₃ are studied for wave packet derived by ab initio computations. This is also for the purpose of the systematic comprehension of the local dielectric property of nanosize materials, particularly high-k materials, for example HfO₂. The relations between the pattern of the local polarizability density on the bonding axis, the bond length, and the atomic radius are paid attention to.