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quant-ph2023★ 15 cited
A Linearized Semiclassical dynamics study of the multi-quantum vibrational relaxation of NO scattering from a Au(111) Surface
Shreyas Malpathak, Nandini Ananth
The vibrational relaxation of NO molecules scattering from an Au(111) surface has served as the focus of efforts to understand nonadiabatic energy transfer at metal-molecule interf…
physics.chem-ph2023★ 1 cited
Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories
Ken Miyazaki, Nandini Ananth
We simulate the nonadiabatic dynamics of photo-induced isomerization and dissociation in ethylene using ab initio classical trajectories in an extended phase space of nuclear and e…