RT-TDDFT

This section configures Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations. This method directly simulates the evolution of the electronic wavefunctions over time, allowing the study of a system's response to time-dependent external fields (like laser pulses) and other non-equilibrium phenomena.

• TDED.Nsteps: The total number of time steps in the simulation.
• TDED.TimeStep: The duration of each time step. This is a critical parameter that must be small enough to accurately capture the electronic dynamics (typically on the order of attoseconds).
• Output Options: These allow you to track key quantities over time, such as the total energy and the electric dipole moment of the system.