This is our original work developped by Prof. Ohno to treat chemical reaction including excited states.

We are working to establish a simulation method of ultra-high speed of chemical reaction of the order of 10femto seconds, which is not possible to be detected experimentally. Already several cases have been studied and published: photorysis of methane molecule, DNA basis rearrangement, etc,
Recent works are,
1. Manjanath, Aaditya,, Sahara, Ryoji, Kawazoe, Yoshiyuki, and Ohno, Kaoru, Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmansf theorem: An accurate description of methane photolysis, J. Chem. Phys. 160, 184102 (2024), https://doi.org/10.1063/5.0202590, IF=3.1,
2. Manjanath, Aaditya,, Sahara, Ryoji, Kawazoe, Yoshiyuki, and Ohno, Kaoru, Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule, NANOMATERIALS, 2024, Volume 14, Number 22, Article-Number 1775, NOV, DOI = {10.3390/nano14221775}, IF=4.6.