Related papers: Repulsively diverging gradient of the density func…
Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…
A Bethe-Ansatz spin-density functional approach is developed to evaluate the ground-state density profile in a system of repulsively interacting spin-1/2 fermions inside a quasi-one-dimensional harmonic well. The approach allows for the…
We report a universal density-based basis-set incompleteness correction that can be applied to any wave function method. The present correction, which appropriately vanishes in the complete basis set (CBS) limit, relies on short-range…
We study Bose-Einstein condensation (BEC) in three-dimensional two-component bosonic gases, characterizing the universal behaviors of the critical modes arising at the BEC transitions. For this purpose, we use field-theoretical (FT)…
We combine density-functional theory with density-matrix functional theory to get the best of both worlds. This is achieved by range separation of the electronic interaction which permits to rigorously combine a short-range density…
Density functional theory (DFT) is notorious for the absence of gradient corrections to the two-dimensional (2D) Thomas-Fermi kinetic-energy functional; it is widely accepted that the 2D analog of the 3D von Weizs\"acker correction…
In this paper we consider the {\it Density Functional Theory} (DFT) framework, where a functional of the form $$F_\eps(\rho)=\eps T(\rho)+bC(\rho)-U(\rho)$$ has to be minimized in the class of non-negative measures $\rho$ which have a…
In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic…
We show that self-localized ground states can be created in the spin-balanced gas of fermions with repulsion between the spin components, whose strength grows from the center to periphery, in combination with the harmonic-oscillator (HO)…
Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent…
We present a description of the behavior of a superfluid gas of fermions in the presence of a Feshbach resonance over the complete range of magnetic field detunings. Starting from a resonance Hamiltonian, we exploit a functional method to…
We investigate a harmonically trapped two-component Bose--Einstein condensate within the miscible regime, close to its boundaries, for different ratios of effective intra- and inter-species interactions. We derive analytically a universal…
I consider general interacting systems of quantum particles in one spatial dimension. These consist of bosons or fermions, which can have any number of components, arbitrary spin or a combination thereof, featuring low-energy two- and…
We consider a Bose gas with two-body Kac-like scaled interactions V $\gamma$ (r) = $\gamma$ 3 v($\gamma$r) where v(x) is a given repulsive and integrable potential, while $\gamma$ is a positive parameter which controls the range of the…
Motivated by recent experiments on magnetically frustrated heavy fermion metals, we theoretically study the phase diagram of the Kondo lattice model with a nonmagnetic valence bond solid ground state on a ladder. A similar physical setting…
We present \textsc{dm-PhiSNet}, a physically constrained \textsc{PhiSNet}-based equivariant model that predicts one-electron reduced density matrices (1-RDMs) directly from molecular geometries in an atomic-orbital (AO) basis for…
We investigate the ground state properties of anti-ferromagnetic spin-1 Bose gases in one dimensional harmonic potential from the weak repulsion regime to the strong repulsion regime. By diagonalizing the Hamiltonian in the Hilbert space…
By improving the Bose-Einstein condensate model of dark matter through the repulsive three-particle interaction to better reproduce observables such as rotation curves, both different thermodynamic phases and few-particle correlations are…
A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…
We present a comprehensive study of low-lying states in even-even Ne, Mg, Si, S, Ar isotopes with the multireference density functional theory (MR-DFT) based on a relativistic point-coupling energy density functional (EDF). Beyond…