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Time-dependent density functional theory for quantum transport 被引量:3

Time-dependent density functional theory for quantum transport
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摘要 The rapid miniaturization of elect, ronic devices motivates research interests in quantum transport.Recently time-dependent quantum transport has become an important research topic. Here we re- view recent progresses in the development of time-dependent density-functional theory for quantum transport including the theoretical foundation and numerical algorithms. In particular, the reducedsingle 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. 电子设备的快速的小型化在量运输激发研究兴趣。最近,时间依赖者量运输成为了一个重要研究话题。这里,我们在时间依赖者的发展考察最近的进步为包括理论基础和数字算法的量运输的密度功能的理论。特别地,还原剂单人赛电子密度矩阵基于运动的层次方程,它能从 Liouville-von Neumann 方程被导出,在细节被考察。数字实现被讨论,现实主义的设备的模拟结果将被给。
出处 《Frontiers of physics》 SCIE CSCD 2014年第6期698-710,共13页 物理学前沿(英文版)
关键词 tim-dependent density functional theory (TDDFT) quantum transports nonequilibrium Green's function 密度泛函理论 时间相关 量子输运 量子传输 数值算法 时间依赖 密度矩阵 小型化
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