Purpose

Quantum principle represented by Schroedinger equation and Dirac equation governs chemistry and physics. In this project, we study the methods which solve these fundamental equations directly and derive the highly predicting power of these quantum principles in various chemical phenomena. These are central theme of theoretical chemistry which provide truly innovative results and are different from the methods based on the experiences.

Main subjects in this project are

1. Solving Schroedinger equation and Dirac-Coulomb equation
2. Theoretical Fine Spectroscopy and Quantum Dynamics of Chemical Reaction
3. Electronic Structure Theory for Giant System
4. Electronic Structure and Dynamics in Biological System
5. Electronic Structure and Dynamics in Condensed System
6. Surface-molecule Interacting System and Catalytic Reaction