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
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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 -