English

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

Strongly Correlated Electrons 2012-04-19 v2

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')^\alpha 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 1/4α3/41/4 \leq \alpha \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 0.64α0.750.64 \lesssim \alpha \leq 0.75.

Keywords

Cite

@article{arxiv.1105.2473,
  title  = {Constraints of reduced density-matrix functional theory for the two-dimensional homogeneous electron gas},
  author = {A. Putaja and E. Rasanen},
  journal= {arXiv preprint arXiv:1105.2473},
  year   = {2012}
}