Significance of the highest occupied Kohn-Sham eigenvalue

Leonard Kleinman
Phys. Rev. B 56, 12042 – Published 15 November 1997
PDFExport Citation

Abstract

Perdew et al. gave a proof that the highest occupied Kohn-Sham eigenvalue of an N-electron system represents the negative of the ionization energy (or electron affinity if N=Z+1). I argue that this cannot be the case.

  • Received 13 September 1996

DOI:https://doi.org/10.1103/PhysRevB.56.12042

©1997 American Physical Society

Authors & Affiliations

Leonard Kleinman

  • Department of Physics, University of Texas, Austin, Texas 78712

Comments & Replies

References (Subscription Required)

Click to Expand
Issue

Vol. 56, Iss. 19 — 15 November 1997

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×