A Brief Compendium of Time-Dependent Density Functional Theory

被引：84
|
作者：
Ullrich, Carsten A. [1 ]
Yang, Zeng-hui [1 ]
机构：
[1] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
来源：
BRAZILIAN JOURNAL OF PHYSICS | 2014年 / 44卷 / 01期
基金：
美国国家科学基金会;
关键词：
Density functional theory; Time-dependent density functional theory; Electronic excitations; Optical properties of materials; CHARGE-TRANSFER EXCITATIONS; EXCHANGE-CORRELATION KERNEL; POTENTIAL-ENERGY CURVES; EXCITED-STATES; AB-INITIO; LINEAR-RESPONSE; REAL-TIME; ELECTRONIC EXCITATIONS; COHERENT CONTROL; GREENS-FUNCTION;
D O I：
10.1007/s13538-013-0141-2
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Time-dependent density functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework, practical aspects, and applications of TDDFT. This paper is mainly intended for nonexperts (students or researchers in other areas) who would like to learn about the present state of TDDFT without going too deeply into formal details.
引用
收藏
页码：154 / 188
页数：35
相关论文
共 50 条
  • [1] A Brief Compendium of Time-Dependent Density Functional Theory
    Carsten A. Ullrich
    Zeng-hui Yang
    Brazilian Journal of Physics, 2014, 44 : 154 - 188
  • [2] Brief review related to the foundations of time-dependent density functional theory
    Thomas A. Niehaus
    Norman H. March
    Theoretical Chemistry Accounts, 2010, 125 : 427 - 432
  • [3] Brief review related to the foundations of time-dependent density functional theory
    Niehaus, Thomas A.
    March, Norman H.
    THEORETICAL CHEMISTRY ACCOUNTS, 2010, 125 (3-6) : 427 - 432
  • [4] Time-dependent density functional theory
    Marques, MAL
    Gross, EKU
    PRIMER IN DENSITY FUNCTIONAL THEORY, 2003, 620 : 144 - 184
  • [5] Time-dependent density functional theory
    Marques, MAL
    Gross, EKU
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2004, 55 : 427 - 455
  • [6] Pseudospectral time-dependent density functional theory
    Ko, Chaehyuk
    Malick, David K.
    Braden, Dale A.
    Friesner, Richard A.
    Martinez, Todd J.
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (10):
  • [7] Time-dependent pair density functional theory
    Ágnes Nagy
    The European Physical Journal B, 2018, 91
  • [8] Time-dependent density functional theory on a lattice
    Farzanehpour, M.
    Tokatly, I. V.
    PHYSICAL REVIEW B, 2012, 86 (12)
  • [9] Applications of time-dependent density functional theory
    Botti, Silvana
    PHYSICA SCRIPTA, 2004, T109 : 54 - 60
  • [10] Time-dependent density functional theory as a thermodynamics
    Nagy, A.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 943 (1-3): : 48 - 52
12345