相关论文: Simple Analytical Particle and Kinetic Energy Dens…

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 report on the measurement of the equation of state of a two-component Fermi gas of $^6$Li atoms with resonant interactions. By analyzing the \textit{in situ} density distributions of a population-imbalanced Fermi mixture reported in the…

We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…

In this Letter, we explore dynamics in a three-dimensional strongly interacting liquid. In quantum liquids discussed below, thermodynamic properties such as pressure and thermal energies are fully characterized by $s(T)$, the entropy…

Using exact continuous quantum Monte Carlo techniques, we study the zero and finite temperature properties of a system of harmonically trapped one dimensional spin 1/2 fermions with short range interactions. Motivated by experimental…

This letter aims to derive the exact relativistic orbital-free kinetic energy density functional for one-particle nuclear systems in one-dimensional case. The kinetic energy is expressed as a functional of both vector and scalar densities.…

We present an accurate and efficient formulation of the stress tensor for real-space Kohn-Sham Density Functional Theory (DFT) calculations. Specifically, while employing a local formulation of the electrostatics, we derive a linear-scaling…

We consider a cold gas of non-interacting fermions in a two dimensional harmonic trap with two different trapping frequencies $\omega_x \leq \omega_y$, and discuss the effect of rotation on the density profile. Depending on the rotation…

We derive the exact nonequilibrium steady state of a run-and-tumble particle (RTP) in $d$ dimensions confined in an isotropic harmonic trap $V(\mathbf r)=\mu r^{2}/2$, with $r=\|\mathbf r\|$. Rotational invariance reduces the problem to the…

We study the effect of electron-electron interaction on the one-particle density of states (\emph{DOS}) $\rho^{(d)}(\epsilon,T)$ of low-dimensional disordered metals near Fermi energy within the framework of the finite temperature…

Using two different numerical methods, we study the behavior of two-component Fermi gases interacting through short-range s-wave interactions in a harmonic trap. A correlated Gaussian basis-set expansion technique is used to determine the…

Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…

Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends…

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

We consider an active Brownian particle in a $d$-dimensional harmonic trap, in the presence of translational diffusion. While the Fokker-Planck equation can not in general be solved to obtain a closed form solution of the joint distribution…

The bandgap constitutes a challenging problem in density functional theory (DFT) methodologies. It is known that the energy gap values calculated by common DFT approaches are underestimated. The bandgap was also found to be related to the…

We give a quantitative analysis of the dynamical properties of fermionic cold atomic gases in normal phase, such as the shear viscosity, heat conductivity, and viscous relaxation times, using the novel microscopic expressions derived by the…

Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a local hybrid method derived from the optimized effective…

We consider a time-dependent non-linear Schr\"odinger equation in one dimension (1D) with a fifth-order interaction term and external harmonic confinement, as a model for both (i) a Bose gas with hard-core contact interactions in…

Based on the basic definition of Fermi energy of degenerate and relativistic electrons, we obtain a special solution to electron Fermi energy, $E_{\rm F}(e)$, and express $E_{\rm F}(e)$ as a function of electron fraction, $Y_{e}$, and…