Related papers: Gradient corrections to the local density approxim…
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $\eta$ at each…
The expansion of a 1D Bose gas is investigated employing the Lieb-Liniger equation of state within the local density approximation. We show that during the expansion the density profile of the gas does not follow a self-similar solution, as…
We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional (1D) uniform electron gases (UEGs). The fundamental parameters of the GLDA \textemdash a generalization of the widely-known…
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…
The ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a century. For half a century, it has been successfully used to…
We point out that the local density approximation (LDA) of Oliva is an adaptation of the Thomas-Fermi method, and is a good approximation when $\varepsilon = \hbar\omega/kT <<1$. For the case of scattering length $a > 0$, the LDA leads to a…
In 2D-simulations of self-gravitating gaseous discs, the potential is often computed in the framework of "softened gravity" initially designed for N-body codes. In this special context, the role of the softening length LAMBDA is twofold: i)…
We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…
Linear discriminant analysis (LDA) is a fundamental classification and dimension reduction method that achieves Bayes optimality under Gaussian mixture, but often struggles in high-dimensional settings where the covariance matrix cannot be…
The correlation function is an important quantity in the physics of ultracold quantum gases because it provides information about the quantum many-body wave function beyond the simple density profile. In this paper we first study the…
By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems one obtains a new class of density functionals, which by design account for the correlations present in the chosen…
The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…
By using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of density functional approximations parallel…
We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional. To do this we first derive an expression for the gradient…
We develop an analytical method for calculating local correlations in strongly interacting 1D Bose gases, based on the exactly solvable Lieb-Liniger model. The results are obtained at zero and finite temperatures. They describe the…
Quantum corrections to the properties of a homogeneous interacting Bose gas at zero temperature can be calculated as a low-density expansion in powers of $\sqrt{\rho a^3}$, where $\rho$ is the number density and $a$ is the S-wave scattering…
Recent experimental and theoretical work has shown that there are conditions in which a trapped, low-density Bose gas behaves like the one-dimensional delta-function Bose gas solved years ago by Lieb and Liniger. This is an intrinsically…
We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the atomic positions within the atomic orbital basis set…
We analyze the ground-state and low-temperature properties of a one-dimensional Bose gas in a harmonic trapping potential using the numerical density matrix renormalization group. Calculations cover the whole range from the Bogoliubov limit…