Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule

論文

著者

Aaditya Manjanath ; Ryoji Sahara ; Yoshiyuki Kawazoe ; Kaoru Ohno

キーワード

Ni atom, quasiparticle, Koopmans’ theorem, GW approximation, CH4, photochemistry, surface hopping

刊行年月日

2024-11-05

更新時刻

2024-11-30 16:30:41 +0900