English
Related papers

Related papers: Confined H$^-$ ion within a density functional fra…

200 papers

From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…

Chemical Physics · Physics 2017-05-11 Stefan Vuckovic , Paola Gori-Giorgi

In this work, we investigate the influence of torsion, Aharonov-Bohm flux, and external magnetic fields on the linear and nonlinear optical properties of a confined quantum system. The confinement potential is not assumed a priori, but…

Optics · Physics 2025-10-28 Carlos Magno O. Pereira , Edilberto O. Silva

An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…

Strongly Correlated Electrons · Physics 2009-11-10 Masahiko Higuchi , Hiroshi Yasuhara

Boundary dependent corrections to the spin energy eigenvalues of an electron in a weak magnetic field and confined by a harmonic trapping potential are investigated. The electromagnetic field is quantized through a normal mode expansion…

Quantum Physics · Physics 2014-04-17 Robert Bennett , Claudia Eberlein

We put forward new approach for the development of a non-local density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc-energy and an…

Other Condensed Matter · Physics 2013-08-05 Klaas J. H. Giesbertz , Robert van Leeuwen , Ulf von Barth

The ground state properties and low-lying excitations of a (quasi) one-dimensional system of longitudinally confined interacting bosons are studied. This is achieved by extending Haldane's harmonic-fluid description to open boundary…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 M. A. Cazalilla

This paper is dedicated to the study of the existence and the properties of electron-electron bound states in QED$_3$. A detailed analysis of the infrared structure of the perturbative series of the theory is presented. We start by…

High Energy Physics - Theory · Physics 2019-08-15 H. O. Girotti , M. Gomes , J. L. deLyra , R. S. Mendes , J. R. S. Nascimento , A. J. da Silva

Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…

Chemical Physics · Physics 2007-05-23 Artem Masunov

approaches. We demonstrate that the Wigner regime can be reached using small values of the confinement parameter. To obtain physical insight in our results we analyze them with a semi-analytical model for two electrons. Thanks to…

The dynamics of electrons in the presence of a positive ion is considered for conditions of weak electron-electron couping but strong electron-ion coupling. The equilibrium electron density and electric field time correlation functions are…

Statistical Mechanics · Physics 2007-05-23 James W. Dufty , Ilya V. Pogorelov , Bernard Talin , Annette Calisti

In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…

Strongly Correlated Electrons · Physics 2010-10-29 S. Pittalis , E. Rasanen

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

Entropic measures provide analytic tools to help us understand correlation in quantum systems. In our previous work, we calculated linear entropy and von Neumann entropy as entanglement measures for the ground state and lower lying excited…

Quantum Physics · Physics 2015-07-21 Chien-Hao Lin , Yew Kam Ho

In the framework of density-functional theory, several popular density functionals for exchange and correlation have been constructed to satisfy a local form of the Lieb-Oxford bound. In its original global expression, the bound represents…

Other Condensed Matter · Physics 2012-05-31 J. G. Vilhena , E. Rasanen , L. Lehtovaara , M. A. L. Marques

The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is…

Materials Science · Physics 2015-05-14 J. R. Trail , D. M. Bird

Density functional calculations are performed for twelve $2l2l'$n$l"$ (n$\geq$2) triply excited hollow resonance series of Li, {\em viz.,} 2s$^2$ns $^2$S$^e$, 2s$^2$np $^2$P$^o$, 2s$^2$nd $^2$D$^e$, 2p$^2$ns $^2$D$^e$,$^4$P$^e$, 2s2pns…

Chemical Physics · Physics 2015-06-16 Amlan K. Roy

In the accompanying Comment [Phys. Rev. A {\bf 67}, 056501 (2003)], I. Lindgren and S. Salomonson claim to prove for the Kohn-Sham kinetic energy functional of ground state electron density that a Fr\"echet functional derivative exists,…

Atomic Physics · Physics 2007-05-23 R. K. Nesbet

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Strongly Correlated Electrons · Physics 2009-04-22 S Chadov , G. H. Fecher , C. Felser , J. Minár , J. Braun , H. Ebert

An analysis shows that the ground state of the inhomogeneous system of interacting electrons in the static external field, which satisfies the thermodynamic limit, can be consistently described only using the Green function theory based on…

Statistical Mechanics · Physics 2014-09-02 V. B. Bobrov

The foundation of the local energy-density functional method to describe the nuclear ground-state properties is given. The method is used to investigate differential observables such as the odd-even mass differences and odd-even effects in…

Nuclear Theory · Physics 2009-11-07 S. A. Fayans , S. V. Tolokonnikov , E. L. Trykov , D. Zawischa
‹ Prev 1 8 9 10 Next ›