Questions tagged [non-adiabatic]

Questions about non-adiabatic dynamics or anything non-adiabatic.

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Deviation caused by using DFT in Non-Adiabatic Molecular Dynamics

To calculate the excited state properties and processes of semiconductors (e.g. during the photocatalysis process), can be important. Non-Adiabatic Molecular Dynamics (NAMD) is one of the popular ...
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