Time-Dependent Density-Functional Theory

题目：Time-Dependent 

Density-Functional Theory

报告人： Lucia Reining & Francesco Sottile

单位：Palaisean Theoretical Spectroscopy Group

报告地点：上海大学宝山校区

报告时间：2018年11月17日-22日

报告摘要

In principle, the evolution of the electron density under the influence of  an external perturbation determines many important materials properties and potential technological applications, suah as color, or use in photovoltaic devices. Time-dependent density functional theory (TDDFT) opens the way to  understand and predict these phenomena. In this lecture we will discuss the essence of TDDFT, focusing on the physics and state-of-the-art calculations. This will include a review of currently used functionals and some guidelines to select the appropriate mathod for different kinds of spectroscopies and materials.

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