Related papers: Nonlocal pseudopotentials and magnetic fields
A new pseudopotential generation method is presented which significantly improves transferability. The method exploits the flexibility contained in the separable Kleinman-Bylander form of the nonlocal pseudopotential [Phys. Rev. Lett. 48,…
A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc$-$Fe, constructed from…
It is shown that relative coordinate and momentum of coherent electron pair have the meaning of observables with the help of quadrupole and magnetic moments. Distributions of quadrupole terms of scalar potential are shown. These…
Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…
Using a classical and quantum mechanical analysis, we show that the magnetic field gives rise to dynamical symmetries of a three-dimensional axially symmetric two-electron quantum dot with a parabolic confinement. These symmetries manifest…
We investigate the effects of coupling a quantum-magnetic cavity field to molecules. Our high-precision auxiliary-field quantum Monte Carlo calculations capture the effect of the cavity field in the presence of electron correlations, and…
We demonstrate that the electromagnetic fields scattered by particles made of different materials can be equalized. Emphasize is placed first in metallic nanoparticles that host localized surface plasmons and it is shown that their…
Electron-electron interactions are at the origin of many exotic electronic properties of materials which have emerged from recent experimental observations. The main important phenomena discovered are related with electronic magnetic…
A novel strategy is proposed for the coupling of field and circuit equations when modeling power devices in the low-frequency regime. The resulting systems of differential-algebraic equations have a particular geometric structure which…
We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency of many-body electronic structure calculations. The pseudopotential accurately replicates the scattering properties of the Coulomb…
We study interacting electrons in a periodic potential and a uniform magnetic field ${\bf B}$ taking the spin-orbit interaction into account. We first establish a perturbation expansion for those electrons with respect to the Bloch states…
Using Single Electron Capacitance Spectroscopy, we study electron additions in quantum dots containing two potential minima separated by a shallow barrier. Analysis of addition spectra in magnetic field allows us to distinguish whether…
We study a new system in which electrons in two dimensions are confined by a non homogeneous magnetic field. The system consists of a heterostructure with on top of it a superconducting disk. We show that in this system electrons can be…
We study the energy levels of a single particle in a homogeneous magnetic field and in an axially symmetric external potential. For potentials that are superharmonic off the central axis, we find a general ``pseudoconcave'' ordering of the…
Molecular nanomagnets are compounds characterized by a high-spin magnetic core that is protected by organic ligands. They have recently gained attention as potential quantum information carriers in solid-state quantum computing platforms,…
We study the magnetic susceptibility of an ensemble of non-interacting electrons confined by parabolic potentials and subjected to a perpendicular magnetic field at finite temperatures. We show that the behavior of the average…
We consider a pseudorelativistic model of atoms and molecules, where the kinetic energy of the electrons is given by $\sqrt{p^2+m^2}-m$. In this model the eigenfunctions are generally not even bounded, however, we prove that the…
The magnetic scalar potential can be used to design electromagnets accurately and efficiently. I will describe a practical construction algorithm: the prescribed field in a "Target" region (constrained only by Maxwell's equations) specifies…
Spatial localization of the electrons of an atom or molecule is studied in models of non-relativistic matter coupled to quantized radiation. We give two definitions of the ionization threshold. One in terms of spectral data of cluster…
The supersymmetric quantum mechanics of a two-dimensional non-relativistic particle subject to external magnetic and electric fields is studied in a superfield formulation and with the typical non-minimal coupling of (2+1) dimensions. Both…