One- and two-photon excitation dynamics using semiclassical electron force field model

Area of Science:

• Computational Physics
• Quantum Chemistry
• Materials Science

Background:

• Simulating electronic excitation dynamics in condensed matter is computationally intensive.
• Existing methods often struggle to balance accuracy and efficiency for complex systems.

Purpose of the Study:

• To introduce a computationally efficient simulation method for electronic excitation dynamics.
• To describe linear and nonlinear electronic excitation dynamics using a semiclassical approach.
• To validate the new method against established quantum dynamics calculations.

Main Methods:

• Extended semiclassical-based electron force-field simulation.
• Incorporated field-electron interaction into the simulation model.
• Applied short electric field pulses to model systems.
• Compared simulation results with quantum dynamics calculations.

Main Results:

• Successfully simulated linear and nonlinear electronic excitation dynamics.
• Obtained accurate absorbed energies for one- and two-photon excitations.
• Demonstrated low computational cost compared to traditional methods.
• Validated the method using hydrogen atom, SiH4 molecule, and Si crystalline solid.

Conclusions:

• The extended semiclassical simulation method offers a computationally efficient approach for studying electronic excitation dynamics.
• The method accurately captures both linear and nonlinear electronic processes.
• This technique provides a valuable tool for condensed matter research.