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Time-dependent density functional theory for quantum transport

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Abstract

The rapid miniaturization of electronic devices motivates research interests in quantum transport. Recently time-dependent quantum transport has become an important research topic. Here we review recent progresses in the development of time-dependent density-functional theory for quantum transport including the theoretical foundation and numerical algorithms. In particular, the reduced-single electron density matrix based hierarchical equation of motion, which can be derived from Liouville-von Neumann equation, is reviewed in details. The numerical implementation is discussed and simulation results of realistic devices will be given.

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  1. Department of Chemistry, The University of Hong Kong, Hong Kong, China

    Yanho Kwok, Yu Zhang & GuanHua Chen

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Correspondence to GuanHua Chen.

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Kwok, Y., Zhang, Y. & Chen, G. Time-dependent density functional theory for quantum transport. Front. Phys. 9, 698–710 (2014). https://doi.org/10.1007/s11467-013-0361-5

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