Time-independent density functional theory for degenerate excited states of Coulomb systems

P. W. Ayers, M. Levy, Nagy

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

In this third paper of a series [Refs. Ayers–Levy–Nagy (Phys Rev A 85:042518, 2012; J Chem Phys 143:191101, 2015) are papers I and II], time-independent universal functionals of ensemble densities are identified for individual degenerate excited levels of Coulomb systems. We prove that the ensemble Coulomb densities determine not only the Hamiltonian but also the degree of excitation. The Euler equation depending on only the ensemble density of the given degenerate excited level is derived. The corresponding non-interacting system is shown, and the appropriate system of Kohn–Sham equations is derived.

Original languageEnglish
Article number152
JournalTheoretical Chemistry Accounts
Volume137
Issue number11
DOIs
Publication statusPublished - Nov 1 2018

Keywords

  • Coulomb systems
  • Degenerate excited states
  • Density functional theory

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Time-independent density functional theory for degenerate excited states of Coulomb systems'. Together they form a unique fingerprint.

  • Cite this