Director: Hiroshi Nakatsuji

The purposes of the quantum chemistry research institute are to construct and spread the truly predictive and useful quantum chemistry with innovative methodologies. The activities of the institute are led by full-time researchers as the central core of the quantum chemistry research institute.

Division one

Leader: Hiroshi Nakatsuji
Theme:

Construction and realization of quantum principles as truly predictive science

Quantum chemistry involving excited states

Theory for the directly determination of the density matrix

Surface chemistry for solid catalysts

Force concept in chemistry

Quantum magnetic chemistry

Division two

Leader: Ryoichi Fukuda
Theme: Construction of the relativistic quantum chemistry. Development of the SAC-CI method.

Division three

Leader: Tomoo Miyahara
Theme: Quantum chemistry for giant systems. Theoretical fine-spectroscopy: circular dichroism spectroscopy.

Division four

Leader: Hiroyuki Nakashima
Theme: General method for analytical solutions of Schroedinger and Dirac-Coulomb equations