相关论文: Chemical Hardness, Linear Response, and Pseudopote…
The cross section for deep inelastic lepton-nucleon scattering with arbitrary polarized scattering fermions is calculated within the electroweak Standard Model and non-minimal gauge models with additional neutral boson. The…
We show that efficient norm-conserving pseudopotentials for electronic structure calculations can be obtained from a polynomial Ansatz for the potential. Our pseudopotential is a polynomial of degree ten in the radial variable and fulfills…
The self-energy and vertex QED radiative corrections to the parity nonconservation (PNC) amplitude in atoms are obtained using the perturbation theory in powers of (alpha Z). The calculated linear in (alpha Z) term gives -0.6 % for the PNC…
Purpose: Magnetic polarizability tensors (MPTs) provide an economical characterisation of conducting magnetic metallic objects and their spectral signature can aid in the solution of metal detection inverse problems, such as scrap metal…
Local-spin-density functional calculations may be affected by severe errors when applied to the study of magnetic and strongly-correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in…
We introduce a data analysis procedure for color transparency experiments which is considerably less model dependent than the transparency ratio method. The new method is based on fitting the shape of the A dependence of the nuclear cross…
The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…
Estimating the tortuosity of porous electrodes is important for understanding the performance of lithium-ion batteries and optimizing the design of electrode microstructures. In this work, a new method for estimating the tortuosity of…
Spin polarizabilities provide information on the internal structure of hadrons in the presence of weak external electromagnetic fields, and are actively studied by Compton scattering experiments. They provide finer detail than the regular…
Abundant evidence has shown the emergence of exotic chemical phenomena under pressure, including the formation of unexpected compounds and strange crystal structures. In many cases, there is no convincing explanation for these phenomena and…
The proton polarizability correction to the Lamb shift of electronic and muonic hydrogen is calculated on the basis of isobar model and experimental data on the structure functions of deep inelastic lepton-nucleon scattering. The…
The discrepancy between polarized and unpolarized measurements of the proton's electromagnetic form factors is striking, and suggests that two-photon exchange (TPE) may be playing a larger role in elastic electron-proton scattering than is…
An adaptive regularization strategy for stabilizing Newton-like iterations on a coarse mesh is developed in the context of adaptive finite element methods for nonlinear PDE. Existence, uniqueness and approximation properties are known for…
To model and quantify the variability in plasticity and failure of additively manufactured metals due to imperfections in their microstructure, we have developed uncertainty quantification methodology based on pseudo marginal likelihood and…
A new type of effective atomic pseudopotential for passivation of semiconductor surfaces is presented. It is shown that the spherical approximation used in the effective and empirical pseudopotential methods is not suitable for describing…
We establish a set of exact sum rules that relate the interatomic force constants to the frequency-dependent electromagnetic susceptibility of a solid or molecule, thereby generalizing the long-established principles of rototranslational…
Polarised neutron scattering is the method of choice to study magnetism in condensed matter. Polarised neutrons are typically very low in flux, and complex experimental configurations further reduce the count rate. Neutron polarisation…
The $O(\alpha)$ leptonic QED corrections to neutral current polarized deep inelastic lepton-nucleon scattering are calculated in leptonic variables both for the case of longitudinal and transverse nucleon polarization. The results of the…
When designing molecular functional materials, the properties of the active specie, the dye, must be optimized fully accounting for environmental effects. Here we present an effective model to account for the spectroscopic effects of the…
Model independent radiative correction to the recoil proton polarization for the elastic electron-proton scattering is calculated within method of electron structure functions. The explicit expressions for the recoil proton polarization are…