Related papers: Local density approximation for excited states
It is shown that the ground-state and the lowest excited-states of two-dimensional electron system (2DES), with ion jellium background, correspond to partial crystal-like (with the period $L_{x}^{\square}=\sqrt{2 m \pi} \ell_{0}$)…
Motivated by current interest in strongly correlated quasi-one-dimensional (1D) Luttinger liquids subject to axial confinement, we present a novel density-functional study of few-electron systems confined by power-low external potentials…
The density of states and the Hall conductivity of a two-dimensional electron gas in a uniform magnetic field and in the presence of a delta impurity are exactly calculated using elementary field theoretic techniques. Although these results…
We prove the general chemical potential theorem: the noninteracting one-electron orbital energies in DFT ground states and $\Delta$SCF excited states are corresponding chemical potentials of electron addition or removal, from an…
The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…
Recently, it has been shown that the ground-state energy of a quantum many-body system can be written in terms of cumulants. In this paper we show that the energies of excited states can be expressed similarly. These representations are…
Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities…
In this paper, we study numerical approximations of the ground states in finite temperature density functional theory. We formulate the problem with respect to the density matrices and justify the convergence of the finite dimensional…
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ray crystal geometries and with experimental absorption…
While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local…
We analyze the error of approximating Gibbs states of local quantum spin Hamiltonians on lattices with Projected Entangled Pair States (PEPS) as a function of the bond dimension ($D$), temperature ($\beta^{-1}$), and system size ($N$).…
We calculate, within a self-consistent Hartree-Fock approximation, the local density of states for different electron crystals in graphene subject to a strong magnetic field. We investigate both the Wigner crystal and bubble crystals with…
In numerical computations of response properties of electronic systems, the standard model is Kohn-Sham density functional theory (KS-DFT). Here we investigate the mathematical status of the simplest class of excitations in KS-DFT,…
We study the ground state and the collective excitations of parabolically-confined double-layer quantum dot systems in a strong magnetic field. We identify parameter regimes where electrons form maximum density droplet states, quantum-dot…
We use harmonically trapped systems to find the leading gradient corrections of the supefluid local density approximation (SLDA) - a density functional theory (DFT) describing the unitary Fermi gas (UFG). We find the leading order…
We derive an approximation to QED effects in strong background fields which can be employed to improve numerical simulations of laser-particle collisions. Treating the laser as a plane wave of arbitrary intensity, we split the wave into…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
Ground-state Kohn-Sham density functional theory provides, in principle, the exact ground-state energy and electronic spin-densities of real interacting electrons in a static external potential. In practice, the exact density functional for…
We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's…