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Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…

Analysis of PDEs · Mathematics 2021-02-24 Joseph W. Jerome

The local-density approximation (LDA), together with the half-occupation (transition state) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite…

Materials Science · Physics 2009-11-13 Luiz G. Ferreira , Marcelo Marques , Lara K. Teles

Divergence exponents of the first-order quantum correction of a two-dimensional hard-sphere Bose atoms are obtained by an effective field theory method. The first-order correction to the ground-state energy density with respect to the…

Statistical Mechanics · Physics 2008-08-26 Sang-Hoon Kim , Mukunda P. Das

Ultracold gases are a versatile platform to simulate condensed matter physics, as virtually any parameter is experimentally tunable. In particular, highly anisotropic traps allow the realization of low-dimensional systems, where the role of…

Quantum Gases · Physics 2017-12-18 Guillaume Lang

The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…

Chemical Physics · Physics 2021-02-10 Susi Lehtola , Miguel A. L. Marques

The Gross-Pitaevskii approximation is a long-wavelength theory widely used to describe a variety of properties of dilute Bose condensates, in particular trapped alkali gases. We point out that for short-ranged repulsive interactions this…

Statistical Mechanics · Physics 2009-10-31 Eugene B. Kolomeisky , T. J. Newman , Joseph P. Straley , Xiaoya Qi

Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together…

Chemical Physics · Physics 2017-05-01 Fergus J. M. Rogers , Caleb J. Ball , Pierre-François Loos

We discuss approximate formulas for the dynamic structure factor of the one-dimensional Bose gas in the Lieb-Liniger model that appear to be applicable over a wide range of the relevant parameters such as the interaction strength,…

Statistical Mechanics · Physics 2009-11-23 Alexander Yu. Cherny , Joachim Brand

We investigate a dilute Bose gas confined in a tight one-dimensional (1D) optical lattice plus a superimposed random potential at zero temperature. Accordingly, the ground state energy, quantum depletion and superfluid density are…

Quantum Gases · Physics 2015-05-19 Kezhao Zhou , Ying Hu , Zhaoxin Liang , Zhidong Zhang

Spatially resolved relative phase measurement of two adjacent 1D Bose gases is enabled by matter-wave interference upon free expansion. However, longitudinal dynamics is typically ignored in the analysis of experimental data. We provide an…

In the local density approximation (LDA) for electronic time-dependent current-density functional theory (TDCDFT) many-body effects are described in terms of the visco-elastic constants of the homogeneous three-dimensional electron gas. In…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Roberto D'Agosta , Massimiliano Di Ventra , Giovanni Vignale

First-principles calculations within the weighted density approximation (WDA) were performed for ground state properties of ferroelectric perovskites PbTiO$_3$, BaTiO$_3$, SrTiO$_3$, KNbO$_3$ and KTaO$_3$. We used the plane-wave…

Materials Science · Physics 2009-11-10 Zhigang Wu , R. E. Cohen , D. J. Singh

We consider the ground-state properties of an extended one-dimensional Bose gas with pointwise attractive interactions. We take the limit where the interaction strength goes to zero as the system size increases at fixed particle density. In…

Quantum Gases · Physics 2016-11-28 Lorenzo Piroli , Pasquale Calabrese

In this chapter we discuss methods to calculate the entanglement of a system using density-functional theory. We firstly introduce density-functional theory and the local-density approximation (LDA). We then discuss the concept of the…

Other Condensed Matter · Physics 2015-05-18 J. P. Coe , I. D'Amico

The known and usable truly nonlocal functionals for exchange-correlation energy of the inhomogeneous electron gas are the ADA (average density approximation) and the WDA (weighted density approximation). ADA, by design, yields the correct…

Materials Science · Physics 2009-10-30 I. I. Mazin , D. J. Singh

We study a lattice version of the local density approximation (LDA) based on Behte ansatz (BALDA). Contrary to what happens in Density Functional Theory (DFT) in the continuum and despite its name, BALDA displays some very non-local…

Strongly Correlated Electrons · Physics 2015-06-11 Zu-Jian Ying , Valentina Brosco , José Lorenzana

We calculate the `exact' potential corresponding to a one-dimensional interacting system of two electrons with a specific, tailored density. We use one-dimensional density-functional theory with a local-density approximation (LDA) on the…

Other Condensed Matter · Physics 2015-05-13 J. P. Coe , I. D'Amico

Standard approximations for the exchange-correlation (XC) functional in Kohn-Sham density functional theory (KS-DFT) typically lead to unacceptably large errors when applied to strongly-correlated electronic systems. Partition-DFT (PDFT) is…

Chemical Physics · Physics 2023-09-12 Yi Shi , Yuming Shi , Adam Wasserman

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

Nuclear Theory · Physics 2009-11-10 Aurel Bulgac , Yongle Yu

We give the first mathematically rigorous justification of the Local Density Approximation in Density Functional Theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density…

Mathematical Physics · Physics 2019-11-13 Mathieu Lewin , Elliott H. Lieb , Robert Seiringer