Band Structure of $Si$ and Geometric Optimization of $SiO_2$ Cluster.

摘要

In this project we have carried out a computer simulation for the studyof electronic structure of the bulk silicon and geometric structure of $SiO_2$ cluster. We found the charge density and energy band gap for the bulk silicon. The geometric optimization of the cluster $SiO_2 $was undertaken in this project.Finally we supply our results and state the future works in this field.