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physics.chem-ph2013★ 35 cited
Nonadiabatic molecular dynamics simulation: An approach based on quantum measurement picture
Wei Feng, Luting Xu, Xin-Qi Li +2
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insig…
physics.chem-ph2012★ 1 cited
Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping
Wei Feng, Luting Xu, Xin-Qi Li +1
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field de…