DOI: 10.1039/d6cp02579j ISSN: 1463-9076

Best practices for hybrid semiclassical simulations of nonadiabatic dynamics

Sujata Nandi, Nandini Ananth

Hybrid semiclassical (SC) approaches offer an efficient route to simulations of nonadiabatic dynamics by selectively quantizing key degrees of freedom, retaining the accuracy of quantum-limit SC methods at a reduced computational cost.

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