English
Related papers

Related papers: Constraint-based Wavevector- and Frequency-depende…

200 papers

The dynamical exchange-correlation kernel $f_{xc}$ of a non-uniform electron gas is an essential input for the time-dependent density functional theory of electronic systems. The long-wavelength behavior of this kernel is known to be of the…

Materials Science · Physics 2009-11-13 V. U. Nazarov , G. Vignale , Y. -C. Chang

In the framework of time-dependent density functional theory (TDDFT), the exact exchange-correlation (xc) kernel $f_{xc}(n,q,\omega)$ determines the ground-state energy, excited-state energies, lifetimes, and the time-dependent linear…

Materials Science · Physics 2021-09-15 Niraj K. Nepal , Aaron D. Kaplan , J. M. Pitarke , Adrienn Ruzsinszky

We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 R. Asgari , M. Polini , B. Davoudi , M. P. Tosi

The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular…

Strongly Correlated Electrons · Physics 2023-04-12 K. Karlsson , F. Aryasetiawan

We propose a simple dynamic exchange-correlation kernel of the uniform electron gas. We model the reduction of the electron-electron interaction due to short-range exchange-correlation effects by introducing a frequency-dependent…

Materials Science · Physics 2009-11-13 Lucian A. Constantin , J. M. Pitarke

Recent progress in the formulation of a fully dynamical local approximation to time-dependent Density Functional Theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear…

Condensed Matter · Physics 2008-12-18 R. Nifosi' , S. Conti , M. P. Tosi

The exact exchange-correlation (xc) kernel $f_\mathrm{xc}(x,x',\omega)$ of linear response time-dependent density functional theory is computed over a wide range of frequencies, for three canonical one-dimensional finite systems. Methods…

Materials Science · Physics 2021-04-07 N. D. Woods , M. T. Entwistle , R. W. Godby

For two prototype systems, we calculate the exact exchange-correlation kernels $f_{\mathrm{xc}}(x,x',\omega)$ of time-dependent density functional theory. $f_{\mathrm{xc}}$, the key quantity for optical absorption spectra of electronic…

Other Condensed Matter · Physics 2019-04-10 Mike Entwistle , Rex Godby

The dynamical, long-wavelength longitudinal and transverse exchange-correlation potentials for a homogeneous electron gas are evaluated in a microscopic model based on an approximate decoupling of the equation of motion for the…

Condensed Matter · Physics 2009-10-30 S. Conti , R. Nifosi' , M P Tosi

We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…

Strongly Correlated Electrons · Physics 2012-08-15 Pierre-François Loos , Peter M. W. Gill

The performance of several common approximations for the exchange-correlation kernel within time-dependent density-functional theory is tested for elementary excitations in the homogeneous electron gas. Although the adiabatic local-density…

Materials Science · Physics 2007-05-23 Krzysztof Tatarczyk , Arno Schindlmayr , Matthias Scheffler

Small-wavevector excitations in Coulomb-interacting systems can be decomposed into the high-energy collective longitudinal plasmon and the low-energy single-electron excitations. At the critical wavevector and corresponding frequency where…

Mesoscale and Nanoscale Physics · Physics 2020-05-27 Niraj K. Nepal , Santosh Adhikari , Bimal Neupane , Shiqi Ruan , Santosh Neupane , Adrienn Ruzsinszky

A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part only of the Coulomb interaction. This expression interpolates…

Materials Science · Physics 2009-11-11 Julien Toulouse

The finite-temperature spin response of the uniform electron gas (UEG) is a fundamental reference for spin-polarized and magnetized electron liquids, including warm dense matter (WDM), yet it remains far less constrained than charge…

Strongly Correlated Electrons · Physics 2026-05-19 Pengcheng Hou , Zhiyi Li , Youjin Deng , Kun Chen

Vignale and Kohn have recently formulated a local density approximation to the time-dependent linear response of an inhomogeneous electron system in terms of a vector potential for exchange and correlation. The vector potential depends on…

Statistical Mechanics · Physics 2007-05-23 M. P. Tosi , M. L. Chiofalo , A. Minguzzi , R. Nifosi`

We have calculated the frequency-dependent exact exchange (EXX) kernel of time-dependent (TD) density functional theory employing our recently proposed computational method based on cubic splines. With this kernel we have calculated the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Maria Hellgren , Ulf von Barth

Time-dependent density functional theory (TDDFT) within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the…

Strongly Correlated Electrons · Physics 2023-11-01 Aaron D. Kaplan , Adrienn Ruzsinszky

We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schr\"odinger perturbation theory to show that, in…

Strongly Correlated Electrons · Physics 2013-08-19 Pierre-François Loos , Peter M. W. Gill

We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…

Materials Science · Physics 2009-10-31 Maziar Nekovee , W. M. C. Foulkes , R. J. Needs

Dynamical response theory is used to investigate various transverse confinements on electron correlations in the ground state of a ferromagnetic one-dimensional quantum wire for different wire widths $b$ and density parameters $r_{\rm s}$.…

‹ Prev 1 2 3 10 Next ›