Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Band-like Charge Transport in Organic Semiconductors
2020
In the present study, several mixed quantum-classical (MQC) methods are applied to on-the-fly nonadiabatic molecular dynamics simulations of hole transport in molecular organic semiconductors (OSCs...
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
82
References
9
Citations
NaN
KQI