English
Related papers

Related papers: Dynamic exchange-correlation potentials for the el…

200 papers

In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the…

Condensed Matter · Physics 2007-05-23 Claudia Filippi , Xavier Gonze , C. J. Umrigar

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

Chemical Physics · Physics 2021-05-26 Julien Paquier , Julien Toulouse

The three-dimensional electron-gas model has been a major focus for many-body theory applied to the electronic properties of metals and semiconductors. Because the model neglects band effects, whereas electronic systems are generally more…

Strongly Correlated Electrons · Physics 2015-06-25 A. H. MacDonald

Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

Materials Science · Physics 2009-11-10 A. Rebei , W. N. G. Hitchon

Plasmon modes, their dispersion, and the onset of damping when approaching the electron-hole continuum are well understood when electron correlations are weak. However, we know little about how this picture is modified and what additional…

Strongly Correlated Electrons · Physics 2026-04-17 Juraj Krsnik , Dino Novko , Fabian B. Kugler , Osor S. Barišić , Karsten Held

We investigate the dynamics of electrons in the vicinity of the Anderson transition in $d=3$ dimensions. Using the exact eigenstates from a numerical diagonalization, a number of quantities related to the critical behavior of the diffusion…

Condensed Matter · Physics 2007-05-23 Tobias Brandes , Bodo Huckestein , Ludwig Schweitzer

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

The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different…

Chemical Physics · Physics 2017-09-13 Paula Mori-Sánchez , Aron J. Cohen

We study linear-response time-dependent density-functional theory (DFT) based on the single-determinant range-separated hybrid (RSH) scheme, i.e. combining a long-range Hartree-Fock exchange kernel with a short-range DFT…

Chemical Physics · Physics 2015-06-15 Elisa Rebolini , Andreas Savin , Julien Toulouse

We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the corresponding density…

Strongly Correlated Electrons · Physics 2017-05-04 Luis Cort , Daniel Karlsson , Giovanna Lani , Robert van Leeuwen

We study the energetic properties of finite but internally homogeneous D-dimensional electron droplets in the strict-correlation limit. The indirect Coulomb interaction is found to increase as a function of the electron number, approaching…

Strongly Correlated Electrons · Physics 2011-05-11 E. Rasanen , M. Seidl , P. Gori-Giorgi

The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…

Strongly Correlated Electrons · Physics 2009-10-31 Yongkyung Kwon , D. M. Ceperley , Richard M. Martin

The construction of density-functional approximations is explored by modeling the adiabatic connection em locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models…

Chemical Physics · Physics 2016-05-04 Stefan Vuckovic , Tom Irons , Andreas Savin , Andrew M. Teale , Paola Gori-Giorgi

Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is…

Condensed Matter · Physics 2009-10-28 Claudia Filippi , C. J. Umrigar , Xavier Gonze

We develop the diagrammatic formulation of the many-body theory for the coupled collective modes in interacting electron systems of different dimensions. The formalism is then applied in detail to a two-dimensional system coupled to a…

Strongly Correlated Electrons · Physics 2018-10-24 E. H. Hwang , Ben Yu-Kuang Hu , S. Das Sarma

The collective electronic excitation in planar sodium clusters is studied by time-dependent density functional theory calculations. The formation and development of the resonances in photoabsorption spectra are investigated in terms of the…

Mesoscale and Nanoscale Physics · Physics 2013-06-17 Bao-Ji Wang , San-Huang Ke

First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…

Strongly Correlated Electrons · Physics 2015-05-19 Y. Kakehashi , M. Atiqur R. Patoary , T. Tamashiro

We use a recent approach [Phys. Rev. Letters, {\bf 84}, 959 (2000)] for including Coulomb interactions in quantum systems via a classical mapping of the pair-distribution functions (PDFs) for a study of the 2-D electron gas. As in the 3-D…

Strongly Correlated Electrons · Physics 2009-11-07 François Perrot , M. W. C. Dharma-wardana

A non-empirical exchange functional based on an interpolation between two limits of electron density: slowly varying limit and asymptotic limit, is proposed. In the slowly varying limit, we follow the study by Kleinman in 1984 which…

Materials Science · Physics 2020-08-04 Teepanis Chachiyo , Hathaithip Chachiyo

We consider the role of the third dimension in the conductivity of a quasi 2D electron gas. If the transverse correlation radius of the scattering potential is smaller than the width of the channel, i.e. the width of the transverse electron…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Levanda , V. Fleurov
‹ Prev 1 3 4 5 6 7 10 Next ›