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We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…

Other Condensed Matter · Physics 2019-03-27 Meta van Faassen , Kieron Burke

The exact exchange potential in time-dependent density-functional theory is defined as an orbital functional through the time-dependent optimized effective potential (TDOEP) method. We numerically solve the TDOEP integral equation for the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 H. O. Wijewardane , C. A. Ullrich

Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…

Chemical Physics · Physics 2019-09-09 Dimitri N. Laikov

We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 E. T. Owen , C. H. W. Barnes

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…

Materials Science · Physics 2009-10-31 X. Gonze , M. Scheffler

I investigate the difference between the quasiparticle properties in two dimensional(2D)and three dimensional(3D) s-wave superconductors. Using the original BCS model for the pairing interaction and direct Coulomb interaction I show that…

Superconductivity · Physics 2009-10-30 D. Coffey

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the…

Materials Science · Physics 2018-12-20 Martin Panholzer , Matteo Gatti , Lucia Reining

We study a two dimensional (2D) system of interacting quantum bosons, subjected to a continuous periodic potential in one direction. The correlation of such system exhibits a dimensional crossover between a canonical 2D behavior with…

Quantum Gases · Physics 2023-07-26 Hepeng Yao , Lorenzo Pizzino , Thierry Giamarchi

We present magneto-transport study in an InAs/GaSb double quantum well structure in the weak localization regime. As the charge carriers are depleted using a top gate electrode, we observe a crossover from weak anti-localization (WAL) to…

Mesoscale and Nanoscale Physics · Physics 2020-04-15 Vahid Sazgari , Gerard Sullivan , Ismet I. Kaya

Unlike covalent two-dimensional (2D) materials like graphene, 2D metals have non-layered structures due to their non-directional, metallic bonding. While experiments on 2D metals are still scarce and challenging, density-functional theory…

Materials Science · Physics 2023-01-06 Kameyab Raza Abidi , Pekka Koskinen

We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…

Strongly Correlated Electrons · Physics 2015-05-27 N. Helbig , J. I. Fuks , M. Casula , M. J. Verstraete , M. A. L. Marques , I. V. Tokatly , A. Rubio

The electronic response of a two-dimensional (2D) electron system represents a key quantity in discussing one-electron properties of electrons in semiconductor heterojunctions, on the surface of liquid helium and in copper-oxide planes of…

Materials Science · Physics 2009-10-31 A. Bergara , J. M. Pitarke , P. M. Echenique

Magnetotransport phenomena often provide critically important information about two-dimensional (2D) electron systems. For example, the independence of magneto-photo-resistance of 2D electrons in best-quality quantum wells on the…

Mesoscale and Nanoscale Physics · Physics 2025-07-11 P. S. Alekseev , A. P. Alekseeva

Interacting electrons in quantum dots with large Thouless number $g$ in the three classical random matrix symmetry classes are well-understood. When a specific type of spin-orbit coupling known to be dominant in two dimensional…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Ganpathy Murthy

We propose a model intended to qualitatively capture the electron-electron interaction physics of two-dimensional electron gases formed near transition-metal oxide heterojunctions containing $t_{2g}$ electrons with a density much smaller…

Strongly Correlated Electrons · Physics 2016-01-27 John R. Tolsma , Alessandro Principi , Reza Asgari , Marco Polini , Allan H. MacDonald

Kohn-Sham Density Functional Theory (KS-DFT) provides the exact ground state energy and electron density of a molecule, contingent on the as-yet-unknown universal exchange-correlation (XC) functional. Recent research has demonstrated that…

We continue our explorations of the transport characteristics in junction-configurations comprising semimetals with quadratic band-crossings, observed in the bandstructures of both two- and three-dimensional materials. Here, we consider…

Mesoscale and Nanoscale Physics · Physics 2025-05-21 Ipsita Mandal

Semilocal density functional theory is the most used computational method for electronic structure calculations in theoretical solid-state physics and quantum chemistry of large systems, providing good accuracy with a very attractive…

Other Condensed Matter · Physics 2016-03-31 L. A. Constantin , E. Fabiano , J. M. Pitarke , F. Della Sala

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

The classical-map hyper-netted-chain (CHNC) scheme, developed for treating fermion fluids at strong coupling and at finite temperatures, is applied to electron-electron and electron-hole double quantum wells. The pair distribution functions…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 M. W. C. Dharma-wardana , D. Neilson , F. M. Peeters