北京师范大学化学学院
     
 
学术报告:北京大学化学学院蒋鸿研究员,Towards first-principles approaches for strongly correlated materials

发布时间: 2016-10-08  浏览次数:

报告时间:10月10号(周一)下午14:30
报告地点:物理楼(教十楼)106

报告人:蒋鸿,北京大学化学学院研究员,

1998年毕业于北京大学化学学院;2003年获北京大学化学学院理学博士学位; 2001年至2004年在美国Duke University任研究助理,从事半导体量子点中电子相互作用效应的密度泛函理论研究;2004年至2006年在德国法兰克福大学任博士后访问学者,从事基于Kohn-Sham微扰理论和ACFD定理的轨道关联密度泛函理论的研究;2006年至2009年在德国柏林Fritz-Haber研究所任博士后访问学者,研究GW方法发展及其对d和f电子体系的应用。2009年至今在北京大学化学学院任研究员。

题目:Towards  first-principles approaches for strongly correlated materials
摘要:First-principles modeling of strongly correlated d- and f- systems is currently one of the greatest challenges in theoretical chemistry and condensed matter physics due to the difficulty of treating itinerant (delocalized) and localized states in the same theoretical framework. Density-functional theory (DFT) in the local-density approximation or generalized gradient approxima-tion (LDA/GGA) is well known to be problematic for  strongly correlated systems due to severe self-interaction (delocalization) errors and static correlation errors. The simplest extension that can overcome the major failure of LDA/GGA is to introduce a  local Hubbard like correction (DFT+U), which, however, suffers from various conceptual and practical problems. In this talk, I will present our recent efforts to develop first-principles approaches for strongly correlated systems.


 
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