Experts has a new look! Let us know what you think of the updates.

Provide feedback
Home
Scholarly Works
Sum rules for exchange and correlation potentials
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