Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach
作者： Sergey V. Antipov , Ziyu Ye , Nandini Ananth
DOI: 10.1063/1.4919667
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摘要: We introduce a new semiclassical (SC) framework, the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), that can be tuned to reproduce existing quantum-limit and classical-limit SC approximations quantum real-time correlation functions. Applying modified Filinov transformation formulation leads association of parameter with each degree freedom in system; varying this from zero infinity controls extent quantization corresponding mode. The resulting MQC-IVR expression provides consistent dynamic framework for mixed quantum-classical simulations we demonstrate its numerical accuracy calculation functions model 1D system 2D over full range quantum- behaviors.
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