您当前所在位置: 首页 > 讲座报告 > 正文
讲座报告

【百名学术大师进校园】自然轨道重正化群(NORG)和动力学平均场理论(DMFT)

来源:物理与光电工程学院          点击:
报告人 卢仲毅 教授 时间 4月25日16:00
地点 北校区西大楼三区412报告厅 报告时间

讲座名称:自然轨道重正化群(NORG)和动力学平均场理论(DMFT)

讲座人:卢仲毅 教授

讲座时间:4月25日16:00

讲座地点:北校区西大楼三区412报告厅

 

讲座人介绍:

卢仲毅,中国人民大学理学院物理系主任、材料计算与物质模拟团队学科责任教授和召集人、中国人民大学特聘教授。1988年于北京邮电大学应用物理系获学士学位,1991年于中国科学院理论物理研究所获硕士学位,1996年于意大利国际高等研究院(SISSA)获博士学位,2007年获得国家杰出青年基金,2012年获聘教育部长江学者特聘教授。主要从事电子结构计算方法及其并行化算法以及分子动力学模拟方法的研究以及这些方法在实际系统中的应用。曾获国家自然科学二等奖。

 

讲座内容:

There are many novel quantum phenomena in strongly correlated electronic materials. How to understand and characterize them has always been one of the central topics in condensed matter physics. The DFT+DMFT electronic structure calculation method is considered to be the most powerful and promising method for studying strongly correlated electronic materials, which combines the first-principles electronic structure calculation based on the density functional theory (DFT) and the dynamical mean field theory (DMFT). Nevertheless, the DFT+DMFT calculation method now suffers the sign problem with its quantum Monte Carlo impurity solver, which seriously hinders the development and application of DFT+DMFT. On the other hand, the quantum renormalization group (RG) procedure is one of the most important and accurate approaches for studying interacting many-electron correlated systems, upon which we propose a new concept in the framework of natural orbitals so that we can generalize the RG into general orbital space, namely natural orbitals renormalization group (NORG). We show that the NORG takes a polynomial rather than exponential computational cost in the number of electron bath sites to solve low-energy states of a quantum impurity model. Moreover, the NORG can work on a quantum impurity model with any lattice topological structure. Actually, the effectiveness of the NORG is basically irrespective of a model's topological structure. Thus, the NORG is naturally appropriate for studying quantum cluster-impurity model. This makes the NORG be a natural impurity solver to dynamical mean field theory.

 

主办单位:物理与光电工程学院

 

123

南校区地址:陕西省西安市西沣路兴隆段266号

邮编:710126

北校区地址:陕西省西安市太白南路2号

邮编:710071

电话:029-88201000

访问量:

版权所有:西安电子科技大学     陕ICP备05016463号     建设与运维:信息网络技术中心