Using local quasi-diabatic states, the authors run on-the-fly non-adiabatic simulations of ethylene with PLDM and SQC, getting population dynamics close to AIMS and better than surface hopping here.
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Quasi-Diabatic Scheme for Non-adiabatic On-the-fly Simulations
Using local quasi-diabatic states, the authors run on-the-fly non-adiabatic simulations of ethylene with PLDM and SQC, getting population dynamics close to AIMS and better than surface hopping here.