Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

게시일: 2017. 6. 23 오전 12:48:58

Realistic applications of coupled-trajectory mixed quantum-classical (CT-MQC) dynamics has been published to J. Phys. Chem. Lett. recently. This paper provides the first implementation of CT-MQC approach for a realistic molecule. Quantum-like trajectories provide more accurate description of quantum coherence in excited state molecular dynamics.