一维周期势两种模型中随时间密度泛函理论中的激子谱

N.V. Kharuk, V. Zalipaev, D. Gulevich
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引用次数: 0

摘要

本文在时变密度泛函理论(TDDFT)的框架下研究了束缚激子。考虑两种一维系统:Kronig-Penney模型和光滑周期势。在双波段近似中,我们研究了束缚激子数目与交换相关核类型的关系。使用了两种简单的近似:短程接触xc核和远程(或“软库仑”)核。因此,根据系统的不同,会产生一个或两个有界的外显子。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exciton spectrum within the time-dependent density-functional theory in two models of one-dimensional periodic potential
In this paper, bound excitons are studied in the frame work of the time-dependent density-functional theory (TDDFT). Two 1D systems are considered: the Kronig–Penney model and a smooth periodic potential. Within the two-band approximation, we study the dependence of the number of bound excitons on the type of exchange-correlation kernels. Two simple approximations are used: the short-ranged contact xc kernel and the long-ranged (or ‘soft-Coulomb’) one. As a result, one or two bound ecxitons are produced, depending on the system.
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