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含记忆的含时柯恩-沈理论

Time-dependent Kohn-Sham theory with memory.

作者信息

Wijewardane H O, Ullrich C A

机构信息

Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA.

出版信息

Phys Rev Lett. 2005 Aug 19;95(8):086401. doi: 10.1103/PhysRevLett.95.086401. Epub 2005 Aug 15.

DOI:10.1103/PhysRevLett.95.086401
PMID:16196875
Abstract

In time-dependent density-functional theory, exchange and correlation (xc) beyond the adiabatic approximation can be described by viscoelastic stresses in the electron liquid. In the time domain, the resulting velocity-dependent xc vector potential has a memory containing short- and long-range components, leading to decoherence and energy relaxation. We solve the associated time-dependent Kohn-Sham equations, including the dependence on densities and currents at previous times, for the case of charge-density oscillations in a quantum well. We illustrate xc memory effects, clarify the dissipation mechanism, and extract intersubband relaxation rates for weak and strong excitations.

摘要

在含时密度泛函理论中,超出绝热近似的交换关联(xc)可由电子液体中的粘弹性应力来描述。在时域中,由此产生的与速度相关的xc矢量势具有包含短程和长程分量的记忆,导致退相干和能量弛豫。对于量子阱中电荷密度振荡的情况,我们求解了相关的含时Kohn-Sham方程,其中包括对先前时刻密度和电流的依赖。我们展示了xc记忆效应,阐明了耗散机制,并提取了弱激发和强激发下的子带间弛豫率。

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Time-dependent Kohn-Sham theory with memory.含记忆的含时柯恩-沈理论
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