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Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…

Quantum Gases · Physics 2017-03-15 Raphael F. Ribeiro , Kieron Burke

We improve on the Thomas-Fermi approximation for the single-particle density of fermions by introducing inhomogeneity corrections. Rather than invoking a gradient expansion, we relate the density to the unitary evolution operator for the…

Quantum Gases · Physics 2019-03-04 Thanh Tri Chau , Jun Hao Hue , Martin-Isbjörn Trappe , Berthold-Georg Englert

A thorough account is given of the derivation of uniform semiclassical approximations to the particle and kinetic energy densities of N noninteracting bounded fermions in one dimension. The employed methodology allows the inclusion of…

Quantum Physics · Physics 2015-10-21 Raphael F. Ribeiro , Kieron Burke

For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…

Other Condensed Matter · Physics 2010-06-25 Attila Cangi , Donghyung Lee , Peter Elliott , Kieron Burke

In this short note we argue that Thomas-Fermi Theory the simplest of all density functional theories, although failing to explain features such as binding or stability of negative ions, is surprisingly accurate in estimating sizes of atoms.…

Mathematical Physics · Physics 2016-01-05 Jan Philip Solovej

Approximations to the many-fermion free energy density functional that include the Thomas-Fermi (TF) form for the non-interacting part lead to singular densities for singular external potentials (e.g. attractive Coulomb). This limitation of…

Statistical Mechanics · Physics 2016-09-21 James W. Dufty , S. B. Trickey

An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The…

Quantum Physics · Physics 2015-06-04 Alexey Sergeev , Raka Jovanovic , Sabre Kais , Fahhad H Alharbi

A generalization of the Density Functional Theory is proposed. The theory developed leads to single-particle equations of motion with a quasi-local mean-field operator, which contains a quasi-particle position-dependent effective mass and a…

Nuclear Theory · Physics 2009-11-07 V. B. Soubbotin , V. I. Tselyaev , X. Vinas

We investigate the particle and kinetic energy densities of harmonically trapped fermion gases at zero temperature in arbitrary dimensions. We derive analytically a differential equation connecting these densities, which so far have been…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Matthias Brack , M. V. N. Murthy

Building on the discussion in PRA 93, 042510 (2016), we present a systematic derivation of gradient corrections to the kinetic-energy functional and the one-particle density, in particular for two-dimensional systems. We derive the leading…

Quantum Gases · Physics 2017-09-08 Martin-Isbjörn Trappe , Yink Loong Len , Hui Khoon Ng , Berthold-Georg Englert

We examine the leading order semiclassical gradient corrections to the non-interacting kinetic energy density functional of a two dimensional Fermi gas by applying the extended Thomas-Fermi theory at finite temperature. We find a non-zero…

Quantum Gases · Physics 2015-05-20 Brandon P. van Zyl , K. Berkane , K Bencheikh , A. Farrell

The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…

Materials Science · Physics 2009-11-11 A. P. Favaro , Joao Vitor Batista Ferreira , K. Capelle

We consider interacting Fermi systems close to the unitary regime and compute the corrections to the energy density that are due to a large scattering length and a small effective range. Our approach exploits the universality of the density…

Nuclear Theory · Physics 2009-02-05 Anirban Bhattacharyya , T. Papenbrock

The one-body density matrix is derived within the Extended Thomas-Fermi approximation. This has been done starting from the Wigner-Kirkwood distribution function for a non-local single-particle potential. The links between this new approach…

Nuclear Theory · Physics 2009-10-31 V. B. Soubbotin , X. Vinas

Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defined and properties given. The relationship between…

Other Condensed Matter · Physics 2014-01-08 Attila Cangi , E. K. U. Gross , Kieron Burke

A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…

Other Condensed Matter · Physics 2007-05-23 R. J. Magyar , K. Burke

We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…

Chemical Physics · Physics 2021-05-18 Pavel Okun , Kieron Burke

Properties of confined mesoscopic systems have been extensively studied numerically over recent years. We discuss an analytical approach to the study of finite rotating fermionic systems in two dimension. We first construct the energy…

Mesoscale and Nanoscale Physics · Physics 2019-08-17 Sankalpa Ghosh , M. V. N. Murthy , Subhasis Sinha

We investigate the particle and kinetic-energy densities for a system of $N$ fermions bound in a local (mean-field) potential $V(\bfr)$. We generalize a recently developed semiclassical theory [J. Roccia and M. Brack, Phys. Rev.\ Lett. {\bf…

Mathematical Physics · Physics 2015-05-14 J. Roccia , M. Brack , A. Koch

In the semi-classical limit, the quantum mechanics of a stationary beam of counter-streaming relativistic electrons and ions is described by a nonlinear system of finite-temperature Thomas-Fermi equations. In the high temperature / low…

Mathematical Physics · Physics 2009-10-31 Michael K. -H. Kiessling
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