Colle-Salvetti-type local density functional for the exchange-correlation energy in two dimensions

Journal Article · Thu Jul 15 04:00:00 EDT 2010 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.82.012505· OSTI ID:21442909

Sakiroglu, S ^[1]; Raesaenen, E ^[1]

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1. Nanoscience Center, Department of Physics, University of Jyvaeskylae, P. O. Box 35, FI-40014 Jyvaeskylae (Finland)

We derive an approximate local density functional for the exchange-correlation energy to be used in density-functional calculations of two-dimensional systems. In the derivation we employ the Colle-Salvetti wave function within the scheme of Salvetti and Montagnani [Phys. Rev. A 63, 052109 (2001)] to satisfy the sum rule for the exchange-correlation hole. We apply the functional to the two-dimensional homogeneous electron gas as well as to a set of quantum dots and find a very good agreement with exact reference data.

• OSTI ID: 21442909
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 1 Vol. 82; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
APPROXIMATIONS
CALCULATION METHODS
CORRELATIONS
DENSITY FUNCTIONAL METHOD
ELECTRON CORRELATION
ELECTRON GAS
EQUATIONS
FUNCTIONS
HOLES
NANOSTRUCTURES
QUANTUM DOTS
SUM RULES
TWO-DIMENSIONAL CALCULATIONS
VARIATIONAL METHODS
WAVE FUNCTIONS