Memory in time-dependent density functional theory

被引：156

作者：

Maitra, NT

Burke, K

Woodward, C

机构：

[1] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA

[2] Rutgers State Univ, Dept Math, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 02期

关键词：

D O I：

10.1103/PhysRevLett.89.023002

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

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页数：4

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