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基于级联方程的量子耗散半经典方法

A Hierarchical-Equation-of-Motion Based Semiclassical Approach to Quantum Dissipation

  • 摘要: 提出基于级联方程的半经典方法,通过把时间演化的变量由密度矩阵变为相空间矩,极大提高计算效率,同时仍保持着对体系环境相互作用的非微扰处理.以级联量子主方程J.Chem.Phys. 131 ,214111(2009)为例展示了半经典级联方程的导出,以非谐振子的线性光谱为例演示了数值模拟的方法和结果.

     

    Abstract: We present a semiclassical (SC) approach for quantum dissipative dynamics, constructed on basis of the hierarchical-equation-of-motion (HEOM) formalism. The dynamical components considered in the developed SC-HEOM are wavepackets' phase-space moments of not only the primary reduced system density operator but also the auxiliary density operators (ADOs) of HEOM. It is a highly numerically efficient method, meanwhile taking into account the high-order effects of system-bath couplings. The SC-HEOM methodology is exemplified in this work on the hierarchical quantum master equationJ. Chem. Phys. 131 , 214111 (2009) and numerically demonstrated on linear spectra of anharmonic oscillators.

     

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