DOI: 10.1039/d6cp02579j ISSN: 1463-9076
Best practices for hybrid semiclassical simulations of nonadiabatic dynamics
Sujata Nandi, Nandini AnanthHybrid 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.