Related papers: Deriving density-matrix functionals for excited st…
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…
Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical properties and spectroscopic characterization of large systems. The widely used linear…
We investigate the relation between non-local and energetic properties in 2D quantum systems of zero-temperature bosons. By analyzing numerous interaction potentials across densities spanning from perturbative to strongly correlated regime,…
We calculate the damping of the Bogoliubov-Anderson mode in a one-dimensional two-component attractive Fermi gas for arbitrary coupling strength within a quantum hydrodynamic approach. Using the Bethe-Ansatz solution of the 1D BCS-BEC…
We present fully empirical exchange-correlation functionals to be used within reduced density matrix functional theory (RDMFT). These are of the popular J-K form, where the function of the occupation numbers that multiplies the Fock orbital…
The functional-renormalization-group aided density-functional theory (FRG-DFT) is applied to the two-dimensional homogeneous electron gas (2DHEG). The correlation energy of the 2DHEG is derived as a function of the Wigner-Seitz radius $…
In order to identify possible experimental signatures of the superfluid to Mott-insulator quantum phase transition we calculate the charge structure factor $S(k,\omega)$ for the one-dimensional Bose-Hubbard model using the dynamical…
Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…
We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…
Most realistic calculations of moderately correlated materials begin with a ground-state density functional theory (DFT) calculation. While Kohn-Sham DFT is used in about 40,000 scientific papers each year, the fundamental underpinnings are…
We study the T=0 crossover from the BCS superconductivity to Bose-Einstein condensation in the attractive Hubbard Model within dynamical mean field theory(DMFT) in order to examine the validity of Hartree-Fock-Bogoliubov (HFB) mean field…
Microscopic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications this…
We derive a general linear-response many-body theory capable of computing excitation spectra of trapped interacting bosonic systems, e.g., depleted and fragmented Bose-Einstein condensates (BECs). To obtain the linear-response equations we…
We evaluate the density matrix of an arbitrary quantum mechanical system in terms of the quantities pertinent to the solution of the time-dependent density functional theory (TDDFT) problem. Our theory utilizes the adiabatic connection…
We study the damping of low-lying collective excitations of condensates in a weakly interacting Bose gas model within the framework of imaginary time path integral. A general expression of the damping rate has been obtained in the low…
We develop a finite temperature perturbation theory (beyond the mean field) for a Bose-condensed gas and calculate temperature-dependent damping rates and energy shifts for Bogolyubov excitations of any energy. The theory is generalized for…
The reduced density matrix (RDM) is a fundamental contraction of the Bose-Einstein condensate wave function, encapsulating its one-body properties. It serves as a major analysis tool with which the condensed component of the density can be…
Within the self-consistent Hartree-Fock approximation, an explicit expression for the ground state energy of inhomogeneous Bose gas is derived as a functional of the inhomogeneous density of the Bose-Einstein condensate. The results…
It is shown that in adiabatic approximation for nuclei the many-component Coulomb system cannot be described on the basis of the grand canonical ensemble. Using the variational Bogolyubov's procedure for the free energy, the Hohenberg-Kohn…
We develop a generalization of the Kohn-Sham density functional theory (KS-DFT) + Hubbard $U$ (DFT+$U$) method to the excited-state regime. This has the form of Hubbard $U$ corrected linear-response time-dependent DFT, or `TDDFT+$U$'.…