Related papers: Existence of Density Functionals for Excited State…
A logical foundation of equilibrium state density functional theory in a Kohn-Sham type formulation is presented on the basis of Mermin's treatment of the grand canonical state. it is simpler and more satisfactory compared to the usual…
An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is…
We extend effective field theory to the case of spontaneous symmetry breaking in genuinely finite quantum systems such as small superfluid systems, molecules or atomic nuclei, and focus on deformed nuclei. In finite superfluids, symmetry…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
We analyze the inverse problem of Density Functional Theory using a regularized variational method. First, we show that given $k$ and a target density $\rho$, there exist potentials having $k^{\text{th}}$ bound mixed states which densities…
We describe a novel topological superfluid state, which forms in a one-dimensional Fermi gas with Rashba-like spin-orbit coupling, a Zeeman field and intrinsic attractive interactions. In spite of total number conservation and the presence…
We develop a density functional treatment of non-interacting abelian anyons, which is capable, in principle, of dealing with a system of a large number of anyons in an external potential. Comparison with exact results for few particles…
A Zeeman field affects the metallic heavy fermion ground state in two ways: (i) it splits the spin-degerenate conduction sea, leaving spin up and spin down Fermi surfaces with different band curvature; (ii) it competes with the Kondo effect…
A density functional theory is proposed for strongly interacting fermions with arbitrary large negative scattering length. The functional has only two parameters that are directly fixed to reproduce the universal properties of unitary gas:…
Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…
Using the density matrix renormalization group algorithm, we study the model of spinless fermions with nearest-neighbor interaction on a ring in the presence of disorder. We determine the spatial decay of the density induced by a defect…
We demonstrate how the separation of the total energy of a self-bound system into a functional of the internal one-body Fermionic density and a function of an arbitrary wave vector describing the center-of-mass kinetic energy can be used to…
Resonance states of a two-electron quantum dot are studied using a variational expansion with both real basis-set functions and complex scaling methods. We present numerical evidence about the critical behavior of the density of states in…
In [Phys. Rev. Lett. 127, 023001 (2021)] a reduced density matrix functional theory (RDMFT) has been proposed for calculating energies of selected eigenstates of interacting many-fermion systems. Here, we develop a solid foundation for this…
We consider properties of the ground state density for the $d$-dimensional Fermi gas in an harmonic trap. Previous work has shown that the $d$-dimensional Fourier transform has a very simple functional form. It is shown that this fact can…
A generalization of the Density Functional Theory is proposed. The theory developed leads to single-particle equations of motion with a quasi-local mean-field operator, which contains a quasi-particle position-dependent effective mass and a…
Generation of Wigner functions of Landau levels and determination of their symmetries and generic properties are achieved in the autonomous framework of deformation quantization. Transformation properties of diagonal Wigner functions under…
While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting…