高分子中耗散量子输运的有效场论方法
Dissipative Quantum Transport in Macromolecules: An Effective Field Theory Approach
摘要：
我们介绍了一个原子的方法来耗散量子动力学的带电或中性激发通过大分子系统的传播。利用Feynman-Vernon路径积分方法，从密度矩阵中解析地导出了原子坐标和热浴自由度。这样我们就得到了一个描述量子激发实时演化的有效场论，它与涨落耗散关系完全一致。场论方法的主要优点是，它允许避免使用Keldysh轮廓制定。这种简化使得导出费曼图变得简单，从而可以分析计算传播的量子激发与热浴和分子原子振动的相互作用的影响。为了说明的目的，我们应用这种形式来研究通过聚（3-烷基噻吩）聚合物传播的空穴的量子相干性的损失
英文摘要：
We introduce an atomistic approach to the dissipative quantum dynamics of charged or neutral excitations propagating through macromolecular systems. Using the Feynman-Vernon path integral formalism, we analytically trace out from the density matrix the atomic coordinates and the heat bath degrees of freedom. This way we obtain an effective field theory which describes the real-time evolution of the quantum excitation and is fully consistent with the fluctuation-dissipation relation. The main advantage of the field-theoretic approach is that it allows to avoid using the Keldysh contour formulation. This simplification makes it straightforward to derive Feynman diagrams to analytically compute the effects of the interaction of the propagating quantum excitation with the heat bath and with the molecular atomic vibrations. For illustration purposes, we apply this formalism to investigate the loss of quantum coherence of holes propagating through a poly(3-alkylthiophene) polymer
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