Related papers: Quantum Monte Carlo calculation of Compton profile…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the…
An accurate method to compute the annihilation rate in positronic systems by means of quantum Monte Carlo simulations is tested and compared with previously proposed methods using simple model systems. This method can be applied within all…
Non-destructive determination of lithium distribution in a working battery is key for addressing both efficiency and safety issues. Although various techniques have been developed to map the lithium distribution in electrodes, these methods…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
We study strong electron tunneling in the single-electron box, a small metallic island coupled to an electrode by a tunnel junction, by means of quantum Monte Carlo simulations. We obtain results, at arbitrary tunneling strength, for the…
Computation of ionic forces using quantum Monte Carlo methods has long been a challenge. We introduce a simple procedure, based on known properties of physical electronic densities, to make the variance of the Hellmann-Feynman estimator…
Comptonization is the process in which photon spectrum changes due to multiple Compton scatterings in the electronic plasma. It plays an important role in the spectral formation of astrophysical X-ray and gamma-ray sources. There are…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
Particle-based ensemble semi-classical Monte Carlo (MC) methods employ quantum corrections (QCs) to address quantum confinement and degenerate carrier populations to model tomorrow's ultra-scaled MOSFETs. Here we present new approaches to…
An electron passing through a counter propagating intense laser beam can interact with a few laser photons with emission of a hard photon in each collision event. In contrast with the well-known nonlinear Compton backscattering process the…
We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample the M{\o}ller-Plesset (MPn) perturbation series, obtaining…
Quasi-monochromatic, high energy and highly polarized $\gamma$-ray beam sources based on Compton scattering of laser photons (LCS) on relativistic electrons have developed for the last few decades as established instruments for nuclear…
QED radiative corrections to elastic electron-proton scattering at low energies are discussed. Corrections to the electron line and effects due to vacuum polarization are computed. Higher order effects are estimated for the conditions of…
The relaxation of the distribution function of the electrons drifting under the influence of a homogeneous electric field in noble gases is known to take place over an extended spatial domain at `intermediate' values of the reduced electric…
The local electron temperature distribution is calculated considering a two dimensional electron system in the integer quantum Hall regime in presence of disorder and uniform perpendicular magnetic fields. We solve thermal-hydrodynamical…
The impacts of both exchange interaction and electron correlation, as well as their combined impact, on electron elastic scattering off a semifilled shell Mn(...$3d^{5}$$4s^{2}$, $^{6}S$) atom are theoretically studied in the electron…
We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain…
When a sample is exposed using electron-beam lithography, the electrons scatter deep and far in the substrate, resulting in unwanted deposition of dose at both the nano- and the microscale. This proximity effect can be mitigated by…
We perform an expansion of the virtual Compton scattering amplitude for low energies and low momenta and show that this expansion covers the transition from the regime to be investigated in the scheduled photon electroproduction experiments…
Variational quantum Monte Carlo calculations are reported for the bulk GaAs semiconductor in order to present values for the ground-state energy, the lattice constant, the bulk modulus, and some derived properties. The statistical accuracy…