Quantum Dynamics: Trajectory-Based Solutions

This lecture explores the application of quantum dynamics with trajectories, including nonadiabatic dynamics and coupling with external fields. It delves into trajectory-based solutions for nuclear dynamics, such as nonadiabatic Ehrenfest Dynamics and Bohmian Dynamics, providing insights into the quantum potential and nonadiabatic couplings. The discussion extends to Trajectory Surface Hopping Dynamics derived from the Independent Trajectory Approximation, offering a stochastic description of the couplings. The lecture also covers the importance of van der Waals interactions in liquid water and the performance of various functionals in simulating water properties.