Potential functionals: dual to density functionals and solution to the v-representability problem.

Published

Journal Article

A functional of external potentials and its variational principle for the ground-state energy is constructed. This potential functional formulation is dual to the density functional approach and provides a solution to the v-representability problem in the original Hohenberg-Kohn theory. A second potential functional for Kohn-Sham noninteracting systems establishes the foundation for the optimized effective potential approach and results in efficient approaches for ensemble Kohn-Sham calculations.

Full Text

Duke Authors

Cited Authors

  • Yang, W; Ayers, PW; Wu, Q

Published Date

  • April 9, 2004

Published In

Volume / Issue

  • 92 / 14

Start / End Page

  • 146404 -

PubMed ID

  • 15089563

Pubmed Central ID

  • 15089563

Electronic International Standard Serial Number (EISSN)

  • 1079-7114

International Standard Serial Number (ISSN)

  • 0031-9007

Digital Object Identifier (DOI)

  • 10.1103/physrevlett.92.146404

Language

  • eng