相关论文: Nonlocal pseudopotentials and magnetic fields

The nonlocal electrodynamics of uniformly rotating systems is presented and its predictions are discussed. In this case, due to paucity of experimental data, the nonlocal theory cannot be directly confronted with observation at present. The…

Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the…

It is shown that the classical commensurability phenomena in weakly modulated two-dimensional electron systems is a manifestation of the intrinsic properties of the correlation functions describing a homogeneous electron gas in a magnetic…

Modifications of spin-splitting dispersion relations and density of states for electrons in non-symmetric heterostructures under in-plane magnetic field are studied within the envelope function formalism. Spin-orbit interactions, caused by…

A scheme is developed for creating pseudopotentials for use in correlated-electron calculations. Pseudopotentials for the light elements H, Li, Be, B, C, N, O, and F, are reported, based on data from high-level quantum chemical…

To make certain quantitative interpretations of spectra from NMR experiments carried out on heterogeneous samples, such as cells and tissues, we must be able to estimate the magnetic and electric fields experienced by the resonant nuclei of…

A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…

We introduce a general first-principles methodology for computing electronic structure in a finite uniform magnetic field which allows for an arbitrary rational magnetic flux and nonlocal pseudopotentials, at a comparable time complexity of…

Low-lying energy levels of two interacting electrons confined in a two-dimensional parabolic quantum dot in the presence of an external magnetic field have been revised within the frame of a novel model. The present formalism, which gives…

The superconductivity of quasi-one-dimensional electrons in the magnetic field is studied. The system is described as the one-dimensional electrons with no frustration due to the magnetic field. The interaction is assumed to be attractive…

Although standard quantum mechanics has some non-local features, the probability current of the Schr\"odinger equation is locally conserved, and this allows minimal electromagnetic coupling. For some important extensions of the…

We consider various methods and techniques for measuring electron magnetization and susceptibility, which are used in experimental condensed matter physics. The list of considered methods for macroscopic measurements includes…

The effect of the uniform magnetic field on the electron in the spherically symmetric square-well potential is studied. A transcendental equation that determines the electron energy spectrum is derived. The approximate value of the lowest…

This paper addresses different aspects of "coupled" model descriptions in computational electromagnetics. This includes domain decomposition, multiscale problems, multiple or hybrid discrete field formulation and multi-physics problems.…

Nonlocal entanglement is crucial for quantum information processes. While nonlocal entanglement has been realized for photons, it is much more difficult to demonstrate for electrons. One approach that has been proposed is to use hybrid…

We develop a theoretical description of electro-magnon solitons in a coupled ferroelectric-ferromagnetic heterostructure. The solitons are considered in the weakly nonlinear limit as a modulation of plane waves corresponding to two,…

We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…

The magnetization of quantum dots is discussed in terms of a relatively simple but exactly solvable model Hamiltonian. The model predicts oscillations in spin polarization as a function of dot radius for a fixed electron density. These…

Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only on the valence states. This is inherently…

The problem of interacting electrons moving under the influence of a strong magnetic field in two dimensions on a finite disk is reconsidered. First, the results of exact diagonalizations for up to $N=9$ electrons for Coulomb as well as for…