Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada.
Phys Chem Chem Phys. 2011 Aug 28;13(32):14378-86. doi: 10.1039/c1cp20702d. Epub 2011 Jun 15.
We simulate the nonequilibrium dynamics of two generic many-body quantum impurity models by employing the recently developed iterative influence-functional path integral method [Phys. Rev. B: Condens. Matter, 2010, 82, 205323]. This general approach is presented here in the context of quantum transport in molecular electronic junctions. Models of particular interest include the single impurity Anderson model and the related spinless two-state Anderson dot. In both cases we study the time evolution of the dot occupation and the current characteristics at finite temperature. A comparison to mean-field results is presented, when applicable.
我们通过采用最近开发的迭代影响函数路径积分方法来模拟两个通用的多体量子杂质模型的非平衡动力学。该通用方法在此被应用于分子电子结中的量子输运。特别感兴趣的模型包括单杂质安德森模型和相关的无自旋两态安德森点。在这两种情况下，我们研究了有限温度下的点占据和电流特性的时间演化。在适用的情况下，我们还给出了与平均场结果的比较。
