Related papers: Nonlocal pseudopotentials and magnetic fields
Electron heating in an ultracold neutral plasma is modeled using classical molecular dynamics simulations in the presence of an externally applied magnetic field. A sufficiently strong magnetic field is found to reduce disorder induced…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
We compute the real and imaginary parts of the electric permittivities and magnetic permeabilities for relativistic electrons from quantum electrodynamics at finite temperature and density. A semiclassical approximation establishes the…
The localization properties of electrons moving in a plane perpendicular to a spatially-correlated static magnetic field of random amplitude and vanishing mean are investigated. We apply the method of level statistics to the eigenvalues and…
We apply quantum electrodynamical density functional theory to obtain the electronic density, the spin polarization, as well as the orbital and the spin magnetization of square periodic arrays of quantum dots or antidots subjected to the…
This paper examines the theory of electron magnetic dipole moment interactions with magnetic fields or other electrons in classical and quantum electrodynamics. We show that these interactions may be described by a version of the Poynting…
By considering the spin connection, we deduce the effective equation for a spin-1/2 particle confined to a curved surface with the non-relativistic limit and in the thin-layer quantization formalism. We obtain a pseudo-magnetic field and an…
We investigate the low energy continuum limit theory for electrons in a graphene sheet under strain. We use the quantum field theory in curved spaces to analyze the effect of the system deformations into an effective gauge field. We study…
Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called dipole-bound anions. Because long-range correlation effects…
Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula is widely used to evaluate the electrical and thermal…
We present a simple calculational scheme for superconducting properties under magnetic fields. A combination of an approximate analytic solution with a free energy functional in the quasiclassical theory provides a wide use formalism for…
We present a machine learning based model that can predict the electronic structure of quasi-one-dimensional materials while they are subjected to deformation modes such as torsion and extension/compression. The technique described here…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
We demonstrate that the local nonfreeness, an unbiased measure of correlation between electrons at a single lattice site, can be computed as the mutual information between local natural spin orbitals. This leads us to prove a general…
We show that quasiparticles in a magnetic field of arbitrary strength $H$ can be described by field dependent parameters. We illustrate this approach in the case of an Anderson impurity model and use the numerical renormalization group…
Locally real states of electromagnetic radiation derived from the underlying quantum mechanical formalism are shown to provide an alternative basis for definite polarized states of the widely accepted probabilistic interpretation. The…
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 discuss a few situations related to non separable correlations in multiterminal hybrid structures. We show that the existence of such correlations can modify the strength of the gap of the superconductor. We discuss linear combinations…
Shannon entropies of one- and two-electron atomic structure factors in the position and momentum representations are used to examine the behavior of the off-diagonal elements of density matrices with respect to the uncertainty principle and…
We show that artificial magnetism of periodic dielectric or metal/dielectric structures has limitations and is subject to at least two "uncertainty principles". First, the stronger the magnetic response (the deviation of the effective…