首页> 外文会议>International Conference on Physics, Chemistry and Application of Nanostructures(Nanomeeting 2005); 20050524-27; Minsk(BY) >AB-INITIO EXCITED STATES CALCULATIONS FOR SEMICONDUCTOR MATERIALS: FROM BULK TO LOW DIMENSIONAL SYSTEMS
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AB-INITIO EXCITED STATES CALCULATIONS FOR SEMICONDUCTOR MATERIALS: FROM BULK TO LOW DIMENSIONAL SYSTEMS

机译:半导体材料的AB-INITIO激发态计算:从本体到低维系统

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摘要

First-principles ground-state calculations on different kind of materials are currently carried out within density functional theory. On the other hand a correct description of the electronic excitations, which are at the origin of many experimental spectra, requires more refined theories. In this paper we summarize the main equations of the theoretical many-body approach used to describe electronic and optical properties of real materials. Some examples of excited state calculations in bulk and low dimensional semiconducting systems are given.
机译:目前在密度泛函理论中对不同种类的材料进行第一性原理基态计算。另一方面,对电子激发的正确描述是许多实验光谱的起源,需要更完善的理论。在本文中,我们总结了用于描述真实材料的电子和光学特性的理论多体方法的主要方程式。给出了本体和低维半导体系统中激发态计算的一些示例。

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