Journal article
Sum rules for exchange and correlation potentials
Abstract
Two recent papers [S. Liu, P. W. Ayers, and R. G. Parr, J. Chem. Phys. 111, 6927 (1999); A. Görling, Phys. Rev. Lett. 83, 5459 (1999)] have stated that ∫∇2νxc(r)dr=4π, where νxc(r) is the exchange-correlation potential of density functional theory. Here, we derive this sum rule and related rules such as ∫∇2νx(r)dr=4π and ∫∇2νc(r)dr=0, where νx(r) and νc(r) are the exchange and correlation components of νxc(r). Using similar methods, we derive …
Authors
Ayers PW; Levy M
Journal
The Journal of Chemical Physics, Vol. 115, No. 10, pp. 4438–4443
Publisher
AIP Publishing
Publication Date
September 8, 2001
DOI
10.1063/1.1379333
ISSN
0021-9606