Two-dimensional limit of exchange-correlation energy functional approximations
Two-dimensional limit of exchange-correlation energy functional approximations
We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density-functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, the quasi-2D electron gas and two-electron quantum dot, we show a fundamental limitation of the local density approximation (LDA) and its semilocal extensions, generalized gradient …