Dissipative Time Dependent Density Functional Theory

被引：6

作者：

Tsekov, Roumen ^{[1
]}

机构：

[1] Rhein Westfal TH Aachen, DWI, D-52056 Aachen, Germany

来源：

INTERNATIONAL JOURNAL OF THEORETICAL PHYSICS | 2009年 / 48卷 / 09期

关键词：

Density functional theory; Quantum dissipation; Electron diffusion; DIFFUSION;

D O I：

10.1007/s10773-009-0054-6

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The simplest density functional theory due to Thomas, Fermi, Dirac and Weizsacker is employed to describe the non-equilibrium thermodynamic evolution of an electron gas. The temperature effect is introduced via the Fermi-Dirac entropy, while the irreversible dynamics is described by a non-linear diffusion equation. A dissipative Kohn-Sham equation is also proposed, which improves the Thomas-Fermi-Weizsacker kinetic functional.

引用

页码：2660 / 2664

页数：5

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