研究目的
To investigate the dynamics of an electronic system interacting with an electromagnetic field within mixed quantum–classical theory and propose a new Ehrenfest+R method to correct the deficiencies of standard Ehrenfest dynamics in capturing spontaneous emission.
研究成果
The Ehrenfest+R method successfully recovers the correct Fermi's golden rule decay rate for spontaneous emission in both 1D and 3D systems, accurately capturing population dynamics, coherence, and electromagnetic field properties. It provides a computationally feasible approach for semiclassical quantum electrodynamics simulations, with potential applications to more complex systems involving nuclear degrees of freedom and multiple emitters.
研究不足
The Ehrenfest+R method is heuristic and ad hoc, not derived from first principles. It may not fully capture all quantum features, and its applicability to systems with strong light-matter coupling or multiple emitters needs further investigation. The method assumes weak coupling (Fermi's golden rule regime) and may not be valid for high-frequency regimes like X-rays.
1：Experimental Design and Method Selection:
The study uses a mixed quantum-classical approach, specifically Ehrenfest dynamics and a new Ehrenfest+R method, to simulate electron-photon interactions. Theoretical models include the Power-Zienau-Woolley Hamiltonian and Maxwell-Liouville equations.
2：Sample Selection and Data Sources:
A two-level electronic system is used as the sample, with parameters such as energy difference ?Ω =
3：46 eV and transition dipole moment μ01 = 11,282 (C/nm)/mol. List of Experimental Equipment and Materials:
No specific physical equipment is mentioned; the work is computational, involving numerical simulations.
4：Experimental Procedures and Operational Workflow:
The Ehrenfest+R algorithm involves propagating the wavefunction and electromagnetic fields using time steps (dt = 10^{-3} fs), with rescaling of fields to enforce energy conservation and correct spontaneous emission rates.
5：Data Analysis Methods:
Data analysis includes evaluating population decay, coherence, impurity of the density matrix, and electromagnetic field intensities using Fourier transforms and coarse-grained averaging.
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