相关论文: Direct Minimization Generating Electronic States w…
The band structure, density of states, and the Fermi surface of a recently discovered superconductor, oxygen-deficient tungsten oxide WO$_{2.9}$ that is equivalent to W$_{20}$O$_{58}$, studied within the density functional theory (DFT) in…
The ground state energy is great importance for studying the properties of a material. In this study, we computed both the Hartree-Fock approximation and the random phase approximation of the ground state energy. Considering the effect of…
The response of the Fermi energy to external perturbations governs key physical observables at metallic interfaces. Although this response admits a local formulation in terms of the Fukui function, its evaluation has traditionally been…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
We present ground state calculations for low-density Fermi gases described by two model interactions, an attractive square-well potential and a Lennard-Jones potential, of varying strength. We use the optimized Fermi-Hypernetted Chain…
The exact form of the kinetic energy functional has remained elusive in orbital-free models of density functional theory (DFT). This has been the main stumbling block for the development of a general-purpose framework on this basis. Here,…
The sequence of ground state energy density at finite size, e_{L}, provides much more information than usually believed. Having at disposal e_{L} for short lattice sizes, we show how to re-construct an approximate quasi-particle dispersion…
We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or…
We discuss the low-temperature behavior of the electronic self-energy in the vicinity of a ferromagnetic instability in two dimensions within the two-particle self-consistent approximation, functional renormalization group and Ward-identity…
We consider the dilute Fermi gas in three dimensions interacting through a positive, radially symmetric, compactly supported and integrable potential in the thermodynamic limit. We establish a second order lower bound for the ground state…
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 propose a fermion Chern-Simons field theory describing two- dimensional electrons in the lowest Landau level. This theory is constructed with a complete set of states, and the lowest Landau level constraint is enforced through a…
We present a novel method, which we call dual minima hopping method (DMHM), that allows us to find the global minimum of the potential energy surface (PES) within density functional theory for systems where a fast but less accurate…
The effect of an oscillating electric field normal to a metallic surface may be described by an effective potential. This induced potential is calculated using semiclassical variants of the random phase approximation (RPA). Results are…
We consider the numerical approximation of a continuum model of antiferromagnetic and ferrimagnetic materials. The state of the material is described in terms of two unit-length vector fields, which can be interpreted as the magnetizations…
In this note, we discuss the effective mass of quasiparticles in finite sized $\nu = 1/2$ systems in the lowest Landau level, given a natural notion we have of the Fermi surface in these finite sized systems. The effective mass is related…
A procedure is described for efficiently finding the ground state energy and configuration for a Frenkel-Kontorova model in a periodic potential, consisting of N parabolic segments of identical curvature in each period, through a numerical…
We study the ground state properties of interacting Fermi gases in the dilute regime, in three dimensions. We compute the ground state energy of the system, for positive interaction potentials. We recover a well-known expression for the…
GW approximation is one of the most popular parameter-free many-body methods that goes beyond the limitations of the standard density functional theory (DFT) to determine the excitation spectra for moderately correlated materials and in…
A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…