Department of Physics and Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Campus Plaine, CP 231, Blvd du Triomphe, B-1050 Brussels, Belgium.
J Chem Phys. 2011 Jan 28;134(4):044121. doi: 10.1063/1.3548065.
We discuss the use of super-fermion formalism to represent and solve quantum kinetic equations for the electron transport problem. Starting with the Lindblad master equation for the molecule connected to two metal electrodes, we convert the problem of finding the nonequilibrium steady state to the many-body problem with non-hermitian liouvillian in super-Fock space. We transform the liouvillian to the normal ordered form, introduce nonequilibrium quasiparticles by a set of canonical nonunitary transformations and develop general many-body theory for the electron transport through the interacting region. The approach is applied to the electron transport through a single level. We consider a minimal basis hydrogen atom attached to two metal leads in Coulomb blockade regime (out of equilibrium Anderson model) within the nonequilibrium Hartree-Fock approximation as an example of the system with electron interaction. Our approach agrees with exact results given by the Landauer theory for the considered models.
我们讨论了使用超费米子形式来表示和解决电子输运问题的量子动力学方程。从连接到两个金属电极的分子的林德布莱德主方程开始，我们将寻找非平衡稳态的问题转化为在超福克空间中具有非厄米利奥维里安的多体问题。我们将利奥维利安转化为正规序形式，通过一组正则非幺正变换引入非平衡准粒子，并为通过相互作用区域的电子输运开发一般的多体理论。该方法应用于单能级的电子输运。我们考虑了一个最小基氢原子附着在两个金属引线在库仑阻塞状态（非平衡安德森模型）内的非平衡哈特利-福克近似作为具有电子相互作用的系统的一个例子。我们的方法与由考虑的模型的兰道尔理论给出的精确结果一致。
