Related papers: First-principles quantum corrections for carrier c…
The first order gradient correction to the Thomas-Fermi functional, proposed by Haq, Chattaraj and Deb (Chem. Phys. Lett. vol. 81, 8031, 1984) has been studied by evaluating both the total kinetic energy and the local kinetic energy…
Measuring bipartite fluctuations of a conserved charge, such as the particle number, is a powerful approach to understanding quantum systems. When the measured region has sharp corners, the bipartite fluctuation receives an additional…
We construct a theory of charge transport by the surface states of topological insulators in three dimensions. The focus is on the experimentally relevant case when the electron doping is such that the Fermi energy $\epsilon_F$ and…
We investigate the behavior of a patchy particle model close to a hard-wall via Monte Carlo simulation and density functional theory (DFT). Two DFT approaches, based on the homogeneous and inhomogeneous versions of Wertheim's first order…
The zero-bias anomaly in the dependence of the tunneling density of states $\nu (\epsilon)$ on the energy $\epsilon$ of the tunneling particle for two- and one-dimensional multilayered structures is studied. We show that for a ballistic…
We study the higher-order Fermi-liquid relations of Kondo systems for arbitrary impurity-electron fillings, extending the many-body quantum theoretical approach of Yamada-Yosida. It includes partly a microscopic clarification of the related…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
We use a mapping of the quasi-2D electron liquid to a classical fluid and use the hypernetted-chain equation inclusive of bridge corrections, i.e., CHNC, to calculate the electron pair-distribution functions and exchange-correlation…
We analyze the spectral properties of a very general two-channel fermion-boson transport model in the insulating and metallic regimes, and the signatures of the metal-insulator quantum phase transition in between. To this end we determine…
The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…
We explore the role of electron correlation in quasi one dimensional quantum wires as the range of the interaction potential is changed and their thickness is varied by performing exact quantum Monte Carlo simulations at various electronic…
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.…
We try to improve the Thomas-Fermi model for the total energy and electron density of atoms and molecules by directly modifying the Euler equation for the electron density, which we argue is less affected by nonlocal corrections. Here we…
Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…
Motivated by recent experimental reports, we carry out a Fermi liquid many-body calculation of the interaction induced renormalization of the spin susceptibility and effective mass in realistic two dimensional (2D) electron systems as a…
We study the ground-state entanglement properties of nanostructured Kondo systems consisting of a pair of impurity spins coupled to a background of confined electrons. The competition between the RKKY-like coupling and the Kondo effect…
We show how particle-vortex duality implies the existence of a large non-abelian discrete symmetry group which relates the electromagnetic response for dual two-dimensional systems in a magnetic field. For conductors with charge carriers…
We present the results of precise correlated-electron calculations on the monomer lattices of the organic charge-transfer solids $\kappa$-(BEDT-TTF)$_2$X for 32 and 64 molecular sites. Our calculations are for band parameters corresponding…
Charge transfer is a common phenomenon in van der Waals heterostructures with proper work function mismatch, which enables electrostatic gating to control band alignment and interlayer charge distributions. This provides a tunable platform…
An experimental analysis for two parallel conducting layers determines the full resistivity tensor of the parallel layer, at magnetic fields where the other layer is in the quantum Hall regime. In heterostructures which exhibit parallel…