Lack of Hohenberg-Kohn theorem for excited states

被引：70

作者：

Gaudoin, R ^{[1
]}

Burke, K ^{[1
]}

机构：

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

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 93卷 / 17期

关键词：

D O I：

10.1103/PhysRevLett.93.173001

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

For a given excited state there exist densities that arise from more than one external potential. This is due to a qualitatively different energy-density relationship from that of the ground state and is related to positive eigenvalues in the nonlocal susceptibility for excited states. Resulting problems with the generalization of the density functional methodology to excited states are discussed.

引用

页码：173001 / 1

页数：4

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