Density matrix functional theory for the Lipkin model

From Density Functional Theory to Density Matrix Functional Theory

Coupled cluster methods are considered among the most accurate tools in electronic structure theory. Nonetheless relatively limited attempt seems to have been made to extend their applicability to the description of the core-excitation phenomena that are behind largely used spectroscopic techniques like x-ray absorption spectroscopy and x-ray circular dichroism. As a first step to redeem for su...

Part I Reduced Density Matrix Functional Theory

Localized-density-matrix implementation of time-dependent density-functional theory

Density Matrix Functional Theory for Molecules and Solids

Density-matrix functional theory has enjoyed increasing popularity in recent years. For the onebody reduced density matrix, the theory rests on a Hohenberg-Kohn-type theorem which was formulated by Gilbert [1]. Employing some well-known reduced-density-matrix functionals [2] for the exchange-correlation energy, we minimize the total energy with the appropiate constraints ensuring N-representabi...

Quantum Hydrodynamic Model of Density Functional Theory

In this paper, we extend the method in [5] to derive a class of quantum hydrodynamic models for the density-functional theory (DFT). The most popular implement of DFT is the Kohn-Sham equation, which transforms a many-particle interacting system into a fictitious non-interacting one-particle system. The Kohn-Sham equation is a non-linear Schrödinger equation, and the corresponding Wigner equati...