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arXiv · 0903.1873

Adiabatic Connection in the Low-Density Limit

Zhenfei Liu·Kieron Burke
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Abstract

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.

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Zhenfei Liu, Kieron Burke. 2009-03-10. Adiabatic Connection in the Low-Density Limit. https://doi.org/10.1103/physreva.79.064503

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