Advanced Electronic Structure Theory in Quantum Chemistry Department of Theoretical and Computational Molecular Science

Quantum chemistry is a subdiscipline of physical chemistry, and practicing its theory by computer is a powerful approach to chemical theory problems that are rather realistic in terms of size and behaviors. We focus on development of the electronic structure theory that is capable of supplying analytic interpretation of chemical phenomena and is being advanced so that it provides accurate information of experiments a priori. The research is aimed at establishing much better ab initio quantum chemistry methodologies that allow one to describe a wide range of complex electronic structures, which can be found in challenging chemical systems, to a predictive chemical accuracy by exploiting cutting-edge manybody theory and sophisticated computing techniques. The resultant methods are applied for studying molecular science.