计算强相关材料电子结构的第一性原理方法：GW+DMFT
强关联电子
2007-05-23 v1 材料科学
摘要
我们详细描述了一种最近提出的用于强相关材料电子结构的第一性原理方法。该方法将GW近似与动力学均场理论相结合。该方法旨在在无可调参数的情况下描述库仑相互作用和屏蔽效应，从而避免了LDA+DMFT技术所固有的概念性问题。
引用
@article{arxiv.cond-mat/0401626,
title = {A First Principles Scheme for Calculating the Electronic Structure of Strongly Correlated Materials: GW+DMFT},
author = {Ferdi Aryasetiawan and Silke Biermann and Antoine Georges},
journal= {arXiv preprint arXiv:cond-mat/0401626},
year = {2007}
}
备注
18 pages, 3 figures, proceedings of the conference on "Coincidence Studies of Surfaces, Thin Films and Nanostructures", Ringberg castle, Sept. 2003. To be published by Wiley