TY - JOUR
T1 - Generalized local-density approximation and one-dimensional finite uniform electron gases
AU - Loos, Pierre François
PY - 2014/5/30
Y1 - 2014/5/30
N2 - We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional uniform electron gases (UEGs). The fundamental parameters of the GLDA - a generalization of the widely known local-density approximation used in density-functional theory - are the electronic density ρ and a two-electron local parameter called the hole curvature η. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of n electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate, and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.
AB - We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional uniform electron gases (UEGs). The fundamental parameters of the GLDA - a generalization of the widely known local-density approximation used in density-functional theory - are the electronic density ρ and a two-electron local parameter called the hole curvature η. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of n electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate, and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.
UR - http://www.scopus.com/inward/record.url?scp=84902105407&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.89.052523
DO - 10.1103/PhysRevA.89.052523
M3 - Article
SN - 1050-2947
VL - 89
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 5
M1 - 052523
ER -