Grossmann Frank, Koch Werner
Institut fur Theoretische Physik, Technische Universitat Dresden, D-01062 Dresden, Germany.
J Chem Phys. 2009 Jan 21;130(3):034105. doi: 10.1063/1.3059006.
The Caldeira-Leggett master equation for dissipative quantum dynamics has predominantly been implemented in phase space, where it plays the role of a quantum Fokker-Planck equation. Here we demonstrate the feasibility of a pure coordinate space implementation in the case of intermediate damping strength and temperature, for times long enough to observe thermal equilibration. After a thorough numerical investigation of the analytically solvable harmonic oscillator case, a Morse oscillator model is studied. This is a case in which a quantal phase space approach would be difficult to implement and we show how analytical results for thermal averages are reproduced to a surprisingly high degree.
用于耗散量子动力学的卡尔德雷拉 - 莱格特主方程主要是在相空间中实现的，在那里它起着量子福克 - 普朗克方程的作用。在这里，我们证明了在中等阻尼强度和温度的情况下，对于足够长的时间以观察到热平衡，纯坐标空间实现的可行性。在对可解析求解的谐振子情况进行全面的数值研究之后，研究了一个莫尔斯振子模型。这是一个量子相空间方法难以实施的情况，并且我们展示了热平均值的解析结果是如何以惊人的高度被重现的。
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