Mahito Chiba

发表

Time-dependent density functional theory based upon the fragment molecular orbital method.

Kazuo Kitaura, Mahito Chiba, Dmitri G Fedorov, 2007, The Journal of chemical physics.

Time-dependent density functional theory with the multilayer fragment molecular orbital method

K. Kitaura, D. Fedorov, Mahito Chiba, 2007 .

Theoretical analysis of the intermolecular interaction effects on the excitation energy of organic pigments: solid state quinacridone.

Kazuo Kitaura, Mahito Chiba, Dmitri G Fedorov, 2008, The journal of physical chemistry. A.

Excited state geometry optimizations by time-dependent density functional theory based on the fragment molecular orbital method

K. Kitaura, D. Fedorov, T. Nagata, 2009 .

Electronic excitation energy calculation by the fragment molecular orbital method with three-body effects.

Mahito Chiba, T. Koido, 2010, The Journal of chemical physics.

The Fragment Molecular Orbital–Based Time- Dependent Density Functional Theory for Excited States in Large Systems

K. Kitaura, D. Fedorov, Mahito Chiba, 2009 .

Spectroscopic Tracking of Structural Evolution in Ultrafast Stilbene Photoisomerization

T. Tahara, Mahito Chiba, T. Taketsugu, 2008, Science.

Long-range corrected time-dependent density functional study on fluorescence of 4,4'-dimethylaminobenzonitrile.

K. Hirao, Mahito Chiba, T. Tsuneda, 2007, The Journal of chemical physics.

Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.

Kimihiko Hirao, Takao Tsuneda, Mahito Chiba, 2006, The Journal of chemical physics.

An efficient state-specific scheme of time-dependent density functional theory

Kimihiko Hirao, Takao Tsuneda, Mahito Chiba, 2006 .

Polarizable continuum model with the fragment molecular orbital‐based time‐dependent density functional theory

Kazuo Kitaura, Dmitri G. Fedorov, Mahito Chiba, 2008, J. Comput. Chem..