TY - JOUR

T1 - Correlation energy of finite two-dimensional systems

T2 - Toward nonempirical and universal modeling

AU - Pittalis, S.

AU - Räsänen, E.

AU - Proetto, C. R.

AU - Gross, E. K.U.

PY - 2009/2/24

Y1 - 2009/2/24

N2 - The capability of density-functional theory to deal with the ground state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three-dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. 88, 1053 (1988)], to the two-dimensional case. The approach is based on nonempirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.

AB - The capability of density-functional theory to deal with the ground state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three-dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. 88, 1053 (1988)], to the two-dimensional case. The approach is based on nonempirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.

UR - http://www.scopus.com/inward/record.url?scp=62349130792&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.79.085316

DO - 10.1103/PhysRevB.79.085316

M3 - Article

AN - SCOPUS:62349130792

SN - 1098-0121

VL - 79

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 8

M1 - 085316

ER -