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We consider the application of the original Meyer-Miller (MM) Hamiltonian to mapping fermionic quantum dynamics to classical equations of motion. Non-interacting fermionic and bosonic systems share the same one-body density dynamics when evolving from the same initial many-body state. The MM classical mapping is exact for non-interacting bosons, and therefore it yields the exact time-dependent one-body density for non-interacting fermions as well. Starting from this observation, the MM mapping is compared to different mappings specific for fermionic systems, namely the spin mapping (SM) with and without including a Jordan-Wigner transformation, and the Li-Miller mapping (LMM). For non-interacting systems, the inclusion of fermionic anti-symmetry through the Jordan-Wigner transform does not lead to any improvement in the performance of the mappings and instead it worsens the classical description. For an interacting impurity model and for models of excitonic energy transfer, the MM and LMM mappings perform similarly, and in some cases the former outperforms the latter when compared to a full quantum description. The classical mappings are able to capture interference effects, both constructive and destructive, that originate from equivalent energy transfer pathways in the models.
The mapping approach addresses the mismatch between the continuous nuclear phase space and discrete electronic states by creating an extended, fully continuous phase space using a set of harmonic oscillators to encode the populations and coherences o
We derive a formulation of mixed quantum-classical dynamics for describing electronic carriers interacting with phonons in reciprocal space. For dispersionless phonons, we start by expressing the real-space classical coordinates in terms of complex v
The celebrated quantum no-cloning theorem states that an arbitrary quantum state cannot be cloned perfectly. This raises questions about cloning of classical states, which have also attracted attention. Here, we present a physical approach to the cla
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian to treat
Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally-measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first principles. Sinc