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非平衡福克空间在电子输运问题中的应用。

Nonequilibrium Fock space for the electron transport problem.

机构信息

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.

出版信息

J Chem Phys. 2009 Nov 7;131(17):171102. doi: 10.1063/1.3262519.

Abstract

Based on the formalism of thermofield dynamics we propose a concept of nonequilibrium Fock space and nonequilibrium quasiparticles for quantum many-body system in nonequilibrium steady state. We develop a general theory as well as demonstrate the utility of the approach on the example of electron transport through the interacting region. The proposed approach is compatible with advanced quantum chemical methods of electronic structure calculations such as coupled cluster theory and configuration interaction.

摘要

基于热场动力学的形式体系,我们为非平衡定态下的量子多体系统提出了非平衡福克空间和非平衡准粒子的概念。我们发展了一套通用理论,并通过电子在相互作用区的输运这一实例展示了该方法的实用性。所提出的方法与电子结构计算的先进量子化学方法(如耦合簇理论和组态相互作用)相兼容。

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