相关论文: Localization, disorder and boson peak in an amorph…

Local existence and well posedness for a class of solutions for the Euler Poisson system is shown. These solutions have a density $\rho$ which either falls off at infinity or has compact support. The solutions have finite mass, finite…

Disorder can fundamentally modify the transport properties of a system. A striking example is Anderson localization, suppressing transport due to destructive interference of propagation paths. In inhomogeneous many-body systems, not all…

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…

Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…

The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…

It has long been postulated that within density-functional theory (DFT) the total energy of a finite electronic system is convex with respect to electron count, so that 2 E_v[N_0] <= E_v[N_0 - 1] + E_v[N_0 + 1]. Using the…

This chapter starts with a summary of the atomistic processes that occur during epitaxy. We then introduce density functional theory (DFT) and describe its implementation into state-of-the-art computations of complex processes in condensed…

We address the fate of many-body localization (MBL) of mid-spectrum eigenstates of a matter-free $U(1)$ quantum-link gauge theory Hamiltonian with random couplings on ladder geometries. Apart from level spacing distribution indicators like…

We investigate the emergence of many-body dynamical localization (MBDL) in the Fock space of an interacting two-mode bosonic system subject to periodic driving. Using a mapping to the paradigmatic kicked-top model, we analyze the interplay…

Based on the statistical dynamical mean field theory, we investigate, in a generic model for a strongly coupled disordered electron-phonon system, the competition between polaron formation and Anderson localization. The statistical…

The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction can be replaced with the mathematically simpler 1-electron…

The electromagnetic local density of states (LDOS) is crucial to many aspects of photonics engineering, from enhancing emission of photon sources to radiative heat transfer and photovoltaics. We present a framework for evaluating upper…

The global density of states (GDOS) close to the band center $\epsilon=0$ for a particle hopping on a square lattice and subjected to disorder that preserves the bipartite symmetry of the lattice is computed using field theoretical methods.…

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density functional theory (DFT) calculations. However, there has been…

Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy functional as input to an Euler-Lagrange equation for the one-body…

We report the existence of localized states in dipolar Bose-Einstein condensates confined to a tubular geometry. We first perform a bifurcation analysis to track their emergence in a one-dimensional domain for numerical feasibility and find…

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

The density of states of Dirac fermions with a random mass on a two-dimensional lattice is considered. We give the explicit asymptotic form of the single-electron density of states as a function of both energy and (average) Dirac mass, in…