Constraints of reduced density-matrix functional theory for the two-dimensional homogeneous electron gas

preprint2011arXivOpen access

Abstract

Reduced density-matrix functional theory (RDMFT) has become an appealing alternative to density-functional theory to describe electronic properties of highly-correlated systems. Here we derive exact conditions for the suitability of RDMFT to describe the two-dimensional homogeneous electron gas, which is the base system for, e.g., semiconductor quantum dots and quantum Hall devices. Following the method of Cioslowski and Pernal [J. Chem. Phys. {\bf 111}, 3396 (1999)] we focus on the properties of power functionals of the form f(n,n′)=(nn′)αf(n,n')=(n n')^α for the scaling function in the exchange-correlation energy. We show that in order to have stable and analytic solutions, and for ff to satisfy the homogeneous scaling constraint, the power is restricted to 1/4≤α≤3/41/4 \leq α\leq 3/4. Applying a reasonable ansatz for the momentum distribution and the lower bound for the exchange-correlation energy tightens the physical regime further to 0.64≲α≤0.750.64 \lesssim α\leq 0.75.

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