相关论文: Nonlocal pseudopotentials and magnetic fields
A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield…
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
Exploiting novel aspects of the quantum geometry of charged particles in a magnetic field via gauge-invariant variables, we provide tangible connections between the response of quantum Hall fluids to non-uniform electric fields and the…
Multiresolution analysis of electronic structure affords the opportunity to capture the full physics of atomic cores in a systematically improvable manner. Applying new techniques, we demonstrate for the first time that multiresolution…
We study the electromagnetic properties of the nucleon and its excitations in a collective model. In the ensuing algebraic treatment all results for helicity amplitudes and form factors can be derived in closed form in the limit of a large…
In this work we study theoretically the coupling of single molecule magnets (SMMs) to a variety of quantum circuits, including microwave resonators with and without constrictions and flux qubits. The main results of this study is that it is…
Elastic electromagnetic form factors of nucleons are investigated both for the time-like and the space-like momentums under the condition that the QCD constraints are satisfied asymptotically. The unsubtracted dispersion relation with the…
We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…
We use magnetotunnelling spectroscopy as a non-invasive probe to produce two-dimensional spatial images of the probability density of an electron confined in a self-assembled semiconductor quantum dot. The images reveal clearly the…
We present a semiclassical theory for electron drag between two parallel two-dimensional electron systems in a strong magnetic field, which provides a transparent picture of the most salient qualitative features of anomalous drag phenomena…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional…
We explore correlated electron states in harmonically confined few-electron quantum dots in an external magnetic field by the path-integral Monte Carlo method for a wide range of the field and the Coulomb interaction strength. Using the…
The electromagnetic structure of the pseudoscalar meson nonet is completely described by the sophisticated Unitary&Analytic model, respecting all known theoretical properties of the corresponding form factors.
Entanglement, a key resource of emerging quantum technologies, describes correlations between particles that defy classical physics. It has been studied extensively on various platforms, but has remained elusive in electron microscopy.…
We study the artificial molecular states formed in laterally coupled double semiconductor nanorings by systems containing one, two and three electrons. An interplay of the interring tunneling and the electron-electron interaction is…
The compressibility of a two-dimensional electron system with spin in a spatially correlated random potential and a quantizing magnetic field is investigated. Electron-electron interaction is treated with the Hartree-Fock method. Numerical…
An approximate analytic solution for the ground electron state are found to the Schroedinger equation for a combination of a uniform magnetic field and single attractive delta-potential. Effect of the magnetic field on this bound localized…
In this paper, correlated studies on a test set of 36 small molecules are carried out with both wavefunction (HF, MP2, CCSD) and density functional (LDA, KT3, cTPSS, cM06-L) methods. The effect of correlation on exotic response properties…
The paper considers the semiclassical dynamics of electrons on complex Fermi surfaces in the presence of strong magnetic fields. The reconstructions of the general topological structure of such dynamics are accompanied by the appearance of…