Centre for Quantum Technologies, National University of Singapore, 117543 Singapore.
J Chem Phys. 2012 May 28;136(20):204120. doi: 10.1063/1.4722336.
In the study of open quantum systems, the polaron transformation has recently attracted a renewed interest as it offers the possibility to explore the strong system-bath coupling regime. Despite this interest, a clear and unambiguous analysis of the regimes of validity of the polaron transformation is still lacking. Here we provide such a benchmark, comparing second order perturbation theory results in the original untransformed frame, the polaron frame, and the variational extension with numerically exact path integral calculations of the equilibrium reduced density matrix. Equilibrium quantities allow a direct comparison of the three methods without invoking any further approximations as is usually required in deriving master equations. It is found that the second order results in the original frame are accurate for weak system-bath coupling; the results deteriorate when the bath cut-off frequency decreases. The full polaron results are accurate for the entire range of coupling for a fast bath but only in the strong coupling regime for a slow bath. The variational method is capable of interpolating between these two methods and is valid over a much broader range of parameters.
在开放量子系统的研究中,极化子变换最近重新引起了人们的兴趣,因为它提供了探索强系统-浴耦合的可能性。尽管如此,极化子变换的有效范围仍缺乏明确和明确的分析。在这里,我们提供了这样一个基准,将原始未变换框架、极化子框架和变分扩展中的二阶微扰理论结果与平衡缩减密度矩阵的数值精确路径积分计算进行了比较。平衡量允许在不调用通常在推导出主方程时需要的任何进一步近似的情况下,直接比较这三种方法。结果发现,原始框架中的二阶结果对于弱系统-浴耦合是准确的;当浴截止频率降低时,结果会恶化。对于快速浴,全极化子结果在整个耦合范围内都是准确的,但对于慢浴,仅在强耦合范围内是准确的。变分方法能够在这两种方法之间进行插值,并且在更广泛的参数范围内有效。