Authors
John P Perdew, Robert G Parr, Mel Levy, Jose L Balduz Jr
Publication date
1982/12/6
Journal
Physical Review Letters
Volume
49
Issue
23
Pages
1691
Publisher
American Physical Society
Description
The Hohenberg-Kohn theorem is extended to fractional electron number N, for an isolated open system described by a statistical mixture. The curve of lowest average energy E N versus N is found to be a series of straight line segments with slope discontinuities at integral N. As N increases through an integer M, the chemical potential and the highest occupied Kohn-Sham orbital energy both jump from E M− E M− 1 to E M+ 1− E M. The exchange-correlation potential δ E xc δ n (r→) jumps by the same constant, and lim r→∞ δ E xc δ n (r→)>~ 0.
Total citations
Scholar articles
JP Perdew, RG Parr, M Levy, JL Balduz Jr - Physical Review Letters, 1982