Excitons in Time-Dependent DensityFunctional Theory

被引：26

作者：

Ullrich, Carsten A. ^{[1
]}

Yang, Zeng-hui ^{[1
,2
]}

机构：

[1] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA

[2] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA

来源：

DENSITY-FUNCTIONAL METHODS FOR EXCITED STATES | 2016年 / 368卷

关键词：

Bethe Salpeter equation; Dielectric function; Exchange-correlation kernel; Excitons; Time-dependent density-functional theory; DENSITY-FUNCTIONAL THEORY; EXCHANGE-CORRELATION KERNEL; ELECTRON-HOLE EXCITATIONS; BAND-GAPS; DIELECTRIC-CONSTANT; OPTICAL-RESPONSE; GREENS-FUNCTION; ABSORPTION; ENERGIES; STATES;

D O I：

10.1007/128_2014_610

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This chapter gives an overview of the description of the optical and dielectric properties of bulk insulators and semiconductors in time-dependent density-functional theory (TDDFT), with an emphasis on excitons. We review the linearresponse formalism for periodic solids, discuss excitonic exchange-correlation kernels, calculate exciton binding energies for various materials, and compare the treatment of excitons with TDDFT and with the Bethe Salpeter equation.

引用

页码：185 / 217

页数：33

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