The design of Kinetic Functionals for Many-Body Electron Systems : Combining analytical theory with Monte Carlo sampling of electronic configurations

摘要

In a previous work [L.Delle Site, J.Phys.A 40, 2787 (2007)] the derivation ofan analytic expression for the kinetic functional of a many-body electronsystem has been proposed. Though analytical, the formula is still non local(multidimensional) and thus not ideal for numerical applications. In this work,by treating the test case of a uniform gas of interacting spinless electrons,we propose a computational protocol which combines the previous analyticresults with the Monte Carlo (MC) sampling of electronic configurations inspace. This, we show, leads to an internally consistent scheme to design wellfounded local kinetic functionals.