Effective Maxwell Equations from Time-dependent Density Functional Theory

被引：5
|
作者：
E, Weinan [1 ,2 ,3 ,4 ]
Lu, Jianfeng [5 ]
Yang, Xu [5 ]
机构：
[1] Princeton Univ, Dept Math, Princeton, NJ 08544 USA
[2] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA
[3] Peking Univ, Beijing Int Ctr Math Res, Beijing 100871, Peoples R China
[4] Peking Univ, Sch Math Sci, Beijing 100871, Peoples R China
[5] NYU, Courant Inst Math Sci, Dept Math, New York, NY 10012 USA
来源：
ACTA MATHEMATICA SINICA-ENGLISH SERIES | 2011年 / 27卷 / 02期
关键词：
Time-dependent density functional theory; Maxwell equations; effective permittivity; electromagnetic fields; THOMAS-FERMI; ATOMS; EXCHANGE;
D O I：
10.1007/s10114-011-0555-0
中图分类号：
O29 [应用数学];
学科分类号：
070104 ;
摘要：
The behavior of interacting electrons in a perfect crystal under macroscopic external electric and magnetic fields is studied. Effective Maxwell equations for the macroscopic electric and magnetic fields are derived starting from time-dependent density functional theory. Effective permittivity and permeability coefficients are obtained.
引用
收藏
页码：339 / 368
页数：30
相关论文
共 50 条
  • [21] Time-dependent density-functional theory for open electronic systems
    Xiao Zheng
    RuLin Wang
    Science China Chemistry, 2014, 57 : 26 - 35
  • [22] Time-dependent density functional theory study of charge transfer in collisions
    Avendano-Franco, Guillermo
    Piraux, Bernard
    Gruening, Myrta
    Gonze, Xavier
    THEORETICAL CHEMISTRY ACCOUNTS, 2012, 131 (11) : 1 - 10
  • [23] Time-dependent density functional theory of high excitations: to infinity, and beyond
    van Faassen, Meta
    Burke, Kieron
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (22) : 4437 - 4450
  • [24] Time-dependent density functional theory study of absorption spectra of metallocenes
    Li, Yong L.
    Han, Lei
    Mei, Ye
    Zhang, John Z. H.
    CHEMICAL PHYSICS LETTERS, 2009, 482 (4-6) : 217 - 222
  • [25] Phase-space explorations in time-dependent density functional theory
    Rajam, A. K.
    Hessler, Paul
    Gaun, Christian
    Maitra, Neepa T.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 914 (1-3): : 30 - 37
  • [26] Time-dependent density functional theory for ion diffusion in electrochemical systems
    Jiang, Jian
    Cao, Dapeng
    Jiang, De-en
    Wu, Jianzhong
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2014, 26 (28)
  • [27] Time-dependent density-functional theory for open electronic systems
    Zheng Xiao
    Wang RuLin
    SCIENCE CHINA-CHEMISTRY, 2014, 57 (01) : 26 - 35
  • [28] Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory
    Ruggenthaler, Michael
    Penz, Markus
    van Leeuwen, Robert
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2015, 27 (20)
  • [29] Time-dependent density functional theory study of charge transfer in collisions
    Guillermo Avendaño-Franco
    Bernard Piraux
    Myrta Grüning
    Xavier Gonze
    Theoretical Chemistry Accounts, 2012, 131
  • [30] A COMPARISON OF 3 MIXED METHODS FOR THE TIME-DEPENDENT MAXWELL EQUATIONS
    MONK, P
    SIAM JOURNAL ON SCIENTIFIC AND STATISTICAL COMPUTING, 1992, 13 (05): : 1097 - 1122
12345