Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics
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DOI: 10.1016/j.chemphys.2018.07.048
Abstract: Abstract We present a simple way to incorporate a molecule-field interaction into non-adiabatic molecular dynamics. This makes possible integrated simulation of the photoexcitaion and the ensuing photodynamics, providing accurate initial conditions that are specific for… read more here.
Keywords: floquet hamiltonian; hamiltonian incorporating; laser pulse; non adiabatic ... See more keywords