Dissipative Time Dependent Density Functional Theory

被引：0

作者：

Roumen Tsekov

机构：

[1] DWI,

[2] RWTH,undefined

来源：

International Journal of Theoretical Physics | 2009年 / 48卷

关键词：

Density functional theory; Quantum dissipation; Electron diffusion;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The simplest density functional theory due to Thomas, Fermi, Dirac and Weizsäcker 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-Weizsäcker kinetic functional.

引用

页码：2660 / 2664

页数：4

共 18 条

[1] Bohm D.(1952)undefined Phys. Rev. 85 166-undefined
[2] Davidson M.(1979)undefined Physica A 96 465-undefined
[3] Dirac P.A.M.(1930)undefined Proc. Camb. Philos. Soc. 26 376-undefined
[4] Fermi E.(1928)undefined Z. Phys. 48 73-undefined
[5] Hohenberg P.(1964)undefined Phys. Rev. 136 B864-undefined
[6] Kohn W.(1965)undefined Phys. Rev. 140 A1133-undefined
[7] Kohn W.(1972)undefined J. Chem. Phys. 57 3589-undefined
[8] Sham L.J.(1927)undefined Z. Phys. 40 322-undefined
[9] Kostin M.D.(2004)undefined Annu. Rev. Phys. Chem. 55 427-undefined
[10] Madelung E.(1984)undefined Phys. Rev. Lett. 52 997-undefined

← 1 2 →