首页 | 本学科首页   官方微博 | 高级检索  
     


Sum-rules of the response potential in the strongly-interacting limit of DFT
Authors:Sara Giarrusso  Paola Gori-Giorgi  Klaas J. H. Giesbertz
Affiliation:1.Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling,Faculty of Sciences, Vrije Universiteit,Amsterdam,The Netherlands
Abstract:The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays a very important role, for example for the calculation of accurate band gaps and excitation energies. Here we analyze this part of the potential in the limit of infinite interaction in density functional theory, showing that in the one-dimensional case it satisfies a very simple sum rule.
Keywords:
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号