期刊
PHYSICAL REVIEW A
卷 85, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.85.032517
关键词
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资金
- NSF of Ningbo City [2010A610103]
- National Natural Science Foundation of China [10805029]
- K. C. Wong Magna Foundation of Ningbo University
- ZheJiang NSF [R6090717]
- NSFC [11041003]
- Brooklyn College Foundation
The Gunnarsson-Lundqvist (GL) theorem of density functional theory states that there is a one-to-one relationship between the density of the lowest nondegenerate excited state of a given symmetry and the external potential. As a consequence, knowledge of this excited state density determines the external potential uniquely. [The GL theorem is the equivalent for such excited states of the Hohenberg-Kohn (HK) theorem for nondegenerate ground states.] For other excited states, there is no equivalent of the GL or HK theorem. For these states, there thus exist multiple potentials that generate the excited-state density. We show, by example, the satisfaction that the GL theorem holds and the multiplicity of potentials for excited states.
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