Dynamical Density Response and Electronic Many-Body Effects in Real Metals

这一新的研究项目将研究真实金属的动态电子响应和多体效应问题，包括表面和整体。重点是电子密度响应函数和电子自能的第一性原理处理。其目的是真实地处理和描述真实金属中的电子激发，并通过这样的理解获得对许多实验结果的解释，这些实验结果与SIMPLE(密度泛函)理论预测的结果严重背离。材料的机械性能主要由其静态电子结构决定。对各种各样的材料来说，静态电子结构的计算或多或少都是例行公事。然而，动态性质，如材料对光或快速移动的离子的响应，通常不在这些传统方法的范围内。该项目旨在开发新的技术类别，这些技术在应用于此类动力学现象时既准确又可伸展。

This new research project will study issues concerning dynamical electronic response and many-body effects of real metals, both at the surface and in the bulk. The emphasis will be first-principles treatment of the electron-density response function and the electron self-energy. The goal is the realistic treatment and description of electronic excitation in real metals, and through such understanding obtaining explanations for numerous experimental results which deviate strongly from the results predicted by simpler (density-functional) theory. %%% The mechanical properties of materials are determined primarily by their static electronic structure. Calculations of the static electronic structure is more-or-less routine for a wide range of materials. However, dynamic properties, such as the response of a material to light or to rapidly moving ions, are generally not within the scope of these conventional approaches. This project intends to develop new classes of techniques which are both accurate and tractible when applied to such dynamical phenomena.