Related papers: Calculating electron momentum densities and Compto…
Electron momentum density and Compton profiles in Lithium along $<100 >$, $<110>$, and $<111>$ directions are calculated using Full-Potential Linear Augmented Plane Wave basis within generalized gradient approximation. The profiles have…
Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…
We discuss the work aimed at studying the momentum density of high Tc superconducting oxides using Compton profile and positron annihilation spectroscopies.
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
We describe an iterative algorithm to construct an unstructured tessellation of simplices (irregular tetrahedra in 3-dimensions) to approximate an arbitrary function to a desired precision by interpolation. The method is applied to the…
Projected momentum distributions of electrons, i.e. Compton profiles above the topmost atomic layer have recently become experimentally accessible by kinetic electron emission in grazing-incidence scattering of atoms at atomically flat…
A reconstruction technique based on Radon transforms is used to obtain 3D electron momentum density rho(p) using nine recently measured high-resolution Compton profiles (CPs) from a Cu_{0.9}Al_{0.1} disordered alloy single crystal. The…
A reconstruction technique based on the solution of the Radon transform in terms of Jacobi polynomials is used to obtain the 3D electron momentum density rho(p) from nine high-resolution Compton profiles (CPs) for a Cu0.9Al0.1 disordered…
Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…
Two-dimensional angular correlation of annihilation radiation (2D-ACAR) and Compton scattering are both powerful techniques to investigate the bulk electronic structure of crystalline solids through the momentum density of the electrons.…
The ground-state many-body electron momentum density, which can be probed by x-ray Compton scattering, holds insights into the electronic structure of materials. Comparisons between the measured so-called Compton profiles and the…
The problem of determining a metal's Fermi surface from measurements of projections of the electron or electron/positron momentum densities, such as obtained by Compton Scattering or Angular Correlation of Positron Annihilation Radiation,…
In the Large Hadron Collider, electron clouds have been observed to cause slow beam degradation in the form of beam lifetime reduction and slow emittance growth. We present a method for the simulation of such slow effects with arbitrarily…
The two-dimensional momentum density of Be on the basal GMK plane, i.e. the line integral of the three-dimensional momentum density along the c-axis, is reconstructed via the Cormack method from both experimental and theoretical Compton…
The precision of experimental data and analysis techniques is a key feature of any discovery attempt. A striking example is the proton radius puzzle where the accuracy of the spectroscopy of muonic atoms challenges traditional electron…
A simultaneous analysis of high-resolution directional Compton profiles and two-dimensional angular correlation of positron annihilation experimental data has been performed by studying both a directional anisotropy of measured spectra and…
We present the first \emph{ab initio} calculation of elastic Compton scattering from 4He. It is carried out to $\mathcal{O}(e^2 \delta^3)$ [N3LO] in the $\delta$ expansion of $\chi$EFT. At this order and for this target, the only free…
The total and magnetically resolved Compton profiles are analyzed within the combined density functional and dynamical mean field theory for the transition metal elements Fe and Ni. A rather good agreement between the measured and computed…
A method to calculate particle fluxes applicable in most of the spectroscopy techniques is described. Flux intensities of backscattered or absorbed electrons and emitted photons are calculated using a method of convergence to solve the…
We discuss a couple of simple quasistatic electromagnetic systems in which the density of electromagnetic linear momentum can be easily computed. The examples are also used to illustrate how the total electromagnetic linear momentum, which…