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Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description
Csaba Fábri1,2, Attila G Császár1,3, Gábor J Halász4
1HUN-REN-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary.
The Journal of Chemical Physics
|June 5, 2024
Summary
The Schrödinger equation adequately models cavity quantum dynamics under moderate laser conditions. For stronger or longer laser pumping, wavefunction renormalization is needed to correct the Schrödinger description, unlike the more robust Lindblad master equation.
Area of Science:
- Quantum optics
- Molecular dynamics
- Cavity quantum electrodynamics
Background:
- Cavities, especially plasmonic nanocavities, influence molecular structure and dynamics.
- These cavities are lossy, necessitating the inclusion of dissipation in theoretical models.
- The Lindblad master equation is a standard tool for describing lossy quantum systems.
Purpose of the Study:
- To numerically compare the Lindblad and Schrödinger equation descriptions for cavity-influenced molecular dynamics.
- To investigate the validity of the Schrödinger description under varying laser and cavity parameters.
- To identify conditions where the Schrödinger description fails and explore potential remedies.
Main Methods:
- Numerical comparison of Lindblad and Schrödinger equation dynamics.
- Modeling a molecule interacting with a laser-pumped cavity.
- Systematic variation of laser intensity, pump time, and cavity properties.
Main Results:
- The Schrödinger description accurately captures polariton and emission dynamics for moderate laser intensity and short pump times.
- The Schrödinger description fails under high laser intensity or prolonged pumping.
- Wavefunction renormalization at each time step can often correct the failing Schrödinger description.
Conclusions:
- The Schrödinger equation is a computationally cheaper alternative to the Lindblad equation for certain cavity quantum dynamics scenarios.
- Careful consideration of laser and cavity parameters is crucial when employing the Schrödinger description.
- Wavefunction renormalization offers a practical method to extend the applicability of the Schrödinger approach in lossy quantum systems.
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