QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for calculating stationary particle or energy currents driven by differences in chemical potentials or temperatures between the leads which are tunnel coupled to the quantum dots. The electronic structures of the quantum dots are described by their single-particle states and the Coulomb matrix elements between the states. When transport is treated perturbatively to lowest order in the tunneling couplings, the possible approaches are Pauli (classical), first-order Redfield, and first-order von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving two-particle excitations in the leads are of interest, the second-order von Neumann approach can be applied. All these approaches are implemented in QmeQ. We here give an overview of the basic structure of the package, give examples of transport calculations, and outline the range of applicability of the different approximate approaches.
翻译:QmeQ 是一个开放源代码的 Python 软件包, 用于使用各种近似主方程法,通过量子点装置进行数字模型的传输, 且具有强大的电子- 电子交互作用。 该软件包提供了一个框架, 用于计算固定粒子或能量流, 由与量子点相伴的导体之间的化学潜力或温度差异所驱动。 量子点的电子结构由各州的单粒子状态和库伦基质元素来描述。 当在隧道连接中将运输按最低顺序进行时, 可能采用的方法是保利( 古典)、 第一阶红场和第一阶冯纽曼主方程式, 以及Lindblad 方程的一种特定形式。 当涉及导体中两个粒子引力的所有过程都值得注意时, 可以使用第二阶Von Neumann 方法。 所有这些方法都在 QmeQ 中实施。 我们在此概述该组合的基本结构, 例解运算, 并概述不同近似方法的应用范围 。