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Demonstration of the Gunnarsson-Lundqvist theorem and the multiplicity of potentials for excited states

  • Yu Qi Li*
  • , Xiao Yin Pan
  • , Biao Li
  • , Viraht Sahni
  • *此作品的通讯作者
  • Ningbo University
  • City University of New York

科研成果: 期刊稿件文章同行评审

摘要

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.

源语言英语
文章编号032517
期刊Physical Review A - Atomic, Molecular, and Optical Physics
85
3
DOI
出版状态已出版 - 21 3月 2012
已对外发布

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