Related papers: Repulsively diverging gradient of the density func…
The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…
We investigate separations of trapped balanced two-component atomic Fermi gases with repulsive contact interaction. Candidates for ground-state densities are obtained from the imaginary-time evolution of a nonlinear pseudo-Schr\"odinger…
The role of repulsive interactions in statistical systems of Bose particles is investigated. Three different phenomenological frameworks are considered: a mean field model, an excluded volume model, and a model with a medium dependent…
Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…
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…
We extend to strongly correlated molecular systems the recently introduced basis-set incompleteness correction based on density-functional theory (DFT) [E. Giner et al., J. Chem. Phys. 149, 194301 (2018)]. This basis-set correction relies…
The equivalence in one-electron quantum bath between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in…
Motivated by the Penrose-Onsager criterion for Bose-Einstein condensation we propose a functional theory for targeting low-lying excitation energies of bosonic quantum systems through the one-particle picture. For this, we employ an…
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid,…
Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…
We consider a homogeneous Bose-Fermi mixture, with the boson-fermion interaction tuned by a Fano-Feshbach resonance, in the presence of mass and density imbalance between the two species. By using many-body diagrammatic methods, we first…
Universality is a powerful concept in physics, allowing one to construct physical descriptions of systems that are independent of the precise microscopic details or energy scales. A prime example is the Fermi gas with unitarity limited…
A self-consistent field model for a mixture of Bose and Fermi particles is formulated. There is explored in detail the case of a delta-like interaction, for which the thermodynamic functions are obtained, and Bose-Einstein condensation of…
We use exact diagonalization to study an interacting system of $N$ spinless bosons with finite-range Gaussian repulsion, confined in a quasi-two-dimensional harmonic trap with and without an introduced rotation. The diagonalization of the…
This paper presents a novel Riemannian conjugate gradient method for the Kohn-Sham energy minimization problem in density functional theory (DFT), with a focus on non-metallic crystal systems. We introduce an energy-adaptive metric that…
We study the spectrum of rotating Bose-Einstein Condensates in the limit of weak repulsive interactions and present analytical and numerical results for energies and wave functions. While the low-lying states are of collective nature, the…
We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…
We study the Hubbard model at half band-filling on a Bethe lattice with infinite coordination number in the paramagnetic insulating phase at zero temperature. We use the dynamical mean-field theory (DMFT) mapping to a single-impurity…
We study ground-state properties of interacting two-component boson gases in a one-dimensional harmonic trap by using the exact numerical diagonalization method. Based on numerical solutions of many-body Hamiltonians, we calculate the…
I show how Bose-Einstein condensation (BEC) in a non interacting bosonic system with exponential density of states function yields to a new class of Lerch zeta functions. By looking on the critical temperature, I suggest that a possible…