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Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths

机译:规范密度的Wigner表示的路径积分方法   离散系统的运算符耦合谐波浴

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摘要

We derive a semi-analytical form for the Wigner transform for the canonicaldensity operator of a discrete system coupled to a harmonic bath based on thepath integral expansion of the Boltzmann factor. The introduction of thissimple and controllable approach allows for the exact rendering of thecanonical distribution and permits systematic convergence of static propertieswith respect to the number of path integral steps. In additions, theexpressions derived here provide an exact and facile interface with quasi- andsemi-classical dynamical methods, which enables the direct calculation ofequilibrium time correlation functions within a wide array of approaches. Wedemonstrate that the present method represents a practical path for thecalculation of thermodynamic data for the spin-boson and related systems. Weillustrate the power of the present approach by detailing the improvement ofthe quality of Ehrenfest theory for the correlation function$\mathcal{C}_{zz}(t) = \mathrm{Re}\langle \sigma_z(0)\sigma_z(t)\rangle$ forthe spin-boson model with systematic convergence to the exact samplingfunction. Importantly, the numerically exact nature of the scheme presentedhere and its compatibility with semiclassical methods allows for the systematictesting of commonly used approximations for the Wigner-transformed canonicaldensity.
机译:我们基于玻尔兹曼因子的路径积分展开,为耦合到谐波浴的离散系统的规范密度算子推导了Wigner变换的半解析形式。这种简单且可控制的方法的引入允许规范分布的精确呈现,并允许相对于路径积分步骤的数量,静态特性的系统收敛。此外,这里导出的表达式提供了与准和半经典动力学方法的精确而便捷的接口,从而可以在多种方法中直接计算平衡时间相关函数。希望证明本方法代表了一种计算自旋玻色子和相关系统热力学数据的实用途径。我们通过详细说明Ehrenfest理论对相关函数$ \ mathcal {C} _ {zz}(t)= \ mathrm {Re} \ langle \ sigma_z(0)\ sigma_z(t自旋玻色子模型的\ rangle $,并且系统地收敛到精确的采样函数。重要的是,这里介绍的方案的精确数值性质及其与半经典方法的兼容性,可以对Wigner变换规范密度的常用近似值进行系统测试。

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