Time-dependent density functional theory of excitation energies of closed-shell quantum dots

被引:3
|
作者
Hirose, K
Meir, Y
Wingreen, NS
机构
[1] NEC Corp Ltd, Fundamental Res Labs, Tsukuba, Ibaraki 3058501, Japan
[2] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel
[3] NEC Corp Ltd, Labs Amer, Princeton, NJ 08540 USA
来源
关键词
time-dependent density functional theory; quantum dots; excitation energy;
D O I
10.1016/j.physe.2003.12.051
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
We study the low-energy excitations of two-dimensional elliptical quantum dots with closed-shell structures using time-dependent density functional theory (TDDFT). We find that TDDFT gives fairly accurate results for the low-energy excitations and describes the spin singlet-triplet transition due to the exchange energy. The deviations from exact-diagonalization results are less than 0.20 meV. We show the dependence of excitation energies on the strength of Coulomb interaction and the photoabsorption spectra. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:486 / 489
页数:4
相关论文
共 50 条
  • [1] Molecular excitation energies from time-dependent density functional theory
    Grabo, T
    Petersilka, M
    Gross, EKU
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 501 : 353 - 367
  • [2] Excitation energies from time-dependent density-functional theory
    Petersilka, M
    Gossmann, UJ
    Gross, EKU
    PHYSICAL REVIEW LETTERS, 1996, 76 (08) : 1212 - 1215
  • [3] Excitation energies of metal complexes with time-dependent density functional theory
    Rosa, A
    Ricciardi, G
    Gritsenko, O
    Baerends, EJ
    PRINCIPLES AND APPLICATIONS OF DENSITY FUNCTIONAL THEORY IN INORGANIC CHEMISTRY I, 2004, 112 : 49 - 115
  • [4] Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms
    Xu, Xuefei
    Yang, Ke R.
    Truhlar, Donald G.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (05) : 2070 - 2084
  • [5] Local Excitation Approximations to Time-Dependent Density Functional Theory for Excitation Energies in Solution
    Liu, Jie
    Herbert, John M.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (01) : 157 - 166
  • [6] Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies
    Yang, Yang
    Culpitt, Tanner
    Hammes-Schiffer, Sharon
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (07): : 1765 - +
  • [7] Average excitation energies from time-dependent density functional response theory
    Hu, Chunping
    Sugino, Osamu
    JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (07):
  • [8] Prediction of excitation energies for conjugated polymers using time-dependent density functional theory
    Tao, Jianmin
    Tretiak, Sergei
    Zhu, Jian-Xin
    PHYSICAL REVIEW B, 2009, 80 (23)
  • [9] Time-dependent four-component relativistic density functional theory for excitation energies
    Gao, J
    Liu, WJ
    Song, B
    Liu, CB
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (14): : 6658 - 6666
  • [10] Excitation energies from range-separated time-dependent density and density matrix functional theory
    Pernal, Katarzyna
    JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (18):