2009/03/31 by Zhenfei Liu, Kieron Burke · 1 citation
Physics and Astronomy · #cond-mat.other
paper · pdf · doi:10.1103/physreva.79.064503
4 pages, 2 figures, submitted to Phys. Rev. A
arxiv created 2009/04/23 · arxiv updated 2015/05/13
In density functional theory (DFT), the exchange-correlation functional can be exactly expressed by the adiabatic connection integral. It has been noticed that as lambda goes to infinity, the lambda^(-1) term in the expansion of W(lambda) vanishes. We provide a simple but rigorous derivation to this exact condition in this work. We propose a simple parametric form for the integrand, satisfying this condition, and show that it is highly accurate for weakly-correlated two-electron systems.