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
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