<i>Ab initio</i> construction of the energy density functional for electron systems with the functional-renormalization-group-aided density functional theory
Takeru Yokota, Tomoya Naito
Abstract
This work shows an ab initio construction of the energy density functional for electron systems without any empirical parameter by use of the functional renormalization group formulated for density functional theory.
Topics & Concepts
Density functional theoryFunctional renormalization groupAb initioEnergy functionalOrbital-free density functional theoryRenormalization groupDensity matrix renormalization groupPhysicsWork (physics)RenormalizationHybrid functionalComputational chemistryQuantum mechanicsChemistryAdvanced Chemical Physics StudiesInorganic Fluorides and Related CompoundsCatalysis and Oxidation Reactions