首页 | 本学科首页   官方微博 | 高级检索  
     


Memory in time-dependent density functional theory
Authors:Maitra Neepa T  Burke Kieron  Woodward Chris
Affiliation:Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854, USA.
Abstract:Exact time-dependent density functionals remember both the entire history of the density and the initial wave function. We show that the two effects are intimately related, and all history dependence can be written as initial-state dependence, including that of the exchange-correlation kernel. For states that can be evolved from a ground state, all initial-state dependence is a dependence on a pseudo-prehistory, providing a route to excited-state densities from time-dependent density functional theory.
Keywords:
本文献已被 PubMed 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