"Double Core-Hole Spectroscopy for Chemical Analysis with an Intense
X-Ray Femtosecond Laser" (Tashiro), PNAS, in press. （2011.Oct) "Double Core Hole Creation and Subsequent Auger Decay" (Tashiro)
has been published in Phys. Rev. Lett. "PCM-SAC/SAC-CI - Nonequilibrium Solvation for Emission and Absorption"
(Fukuda) has been published in J. Chem. Phys.Post doctral fellow position is available. Please contact with M. Ehara.
| Exploring New Field of Theoretical Chemistry Based on Electronic Structure Theory |
|---|
Wide varieties of chemical phenomena appear on the basis of the electronic structure of molecules. The purpose of our group is to clarify the "essence" of the chemical phenomena and to create "new chemical concept" using the electronic structure theory. We develop the highly accurate excited-state theory and apply it to molecular spectroscopy, photochemistry, and photo material science, etc. We also investigate the catalytic reactions and surface photochemistry. Our current main subjects are as follows:
Development of Accurate Electronic Structure Theory Theoretical Fine Spectroscopy Photofunctional Molecules Surface-Molecule Interacting SystemPlease look at "Research" page for details.
If you are interested in above subjects, please contact with M. Ehara.
| Contact |
|---|
Professor Masahiro Ehara,
Research Center for Computational Science,
Institute for Molecular Science,
38 Nishigo-Naka, Myodaiji, Okazaki 444-8585, Japan
TEL: +81-564-55-7461, FAX: +81-564-55-7025
e-mail: ehara at ims.ac.jp