Related papers: Theoretical stopping power of copper for protons u…
The use of two low cost methods for the prediction of the inner-shells contribution to the correlation energy is analyzed. The Spin-Component-Scaled second order M{\o}ller-Plesset perturbation theory (SCS-MP2) was reparameterized for the…
We use Monte Carlo approach to study the energetics of electrons accelerated in a pulsar polar gap. As energy-loss mechanisms we consider magnetic Compton scattering of thermal X-ray photons and curvature radiation. The results are compared…
Accurately predicting the electronic energy deposition of ions in materials is an important challenge in both fundamental and applied research. While employing ab initio simulations to investigate electronic stopping of ions in matter holds…
The paper reports the results of two-dimensional particle-in-cell simulations of proton beam acceleration at the interactions of a 130 fs laser pulse of intensity from the range of 10^21-10^23 W/cm^2, predicted for the Extreme Light…
We have extended the momentum-dependent local-ansatz (MLA) wavefunction method to the first-principles version using the tight-binding LDA+U Hamiltonian for the description of correlated electrons in the real system. The MLA reduces to the…
We use the random phase approximation (RPA) method with the singles correlation energy contributions to calculate lattice energies of ten molecular solids. While RPA gives too weak binding, underestimating the reference data by $13.7$\% on…
Electron energy-loss spectroscopy (EELS) and cathodoluminescence (CL) are widely used experimental techniques for characterization of nanoparticles. The discrete dipole approximation (DDA) is a numerically exact method for simulating…
We develop the plasmon-pole approximation (PPA) theory for calculating the carrier self-energy of extrinsic graphene as a function of doping density within analytical approximations to the $GW$ random phase approximation ($GW$-RPA). Our…
Dynamical Coherent-Potential Approximation (CPA) to correlated electrons has been extended to a system with realistic Hamiltonian which consists of the first-principles tight-binding Linear Muffintin Orbital (LMTO) bands and intraatomic…
The relativistic local density approximation (LDA) for the Coulomb exchange functional in nuclear systems is presented. This approximation is composed of the well-known Slater approximation in the non-relativistic scheme and the corrections…
This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping…
Correlation effects play an important role in the electronic structure of half-metallic (HM) magnets. In particular, they give rise to non-quasiparticle states above (or below) the Fermi energy at finite temperatures that reduce the spin…
The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…
We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…
We use linear response analysis and the fluctuation-dissipation theorem to derive the energy loss of a heavy quark in the SU(2) classical Coulomb plasma in terms of the $l=1$ monopole and non-static structure factor. The result is valid for…
Understanding and predicting the energy loss of swift ions in metals is important for many applications of charged particle beams, such as analysis and modification of materials, and recently for modelling metal nanoparticle…
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to…
Based on the relativistic mean-field effective interactions theory, and Lai dong model \citep{b37, b38, b39}, we discuss the influences of superstrong magnetic fields (SMFs) on electron Fermi energy, nuclear blinding energy, and…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
Recently, we have revealed an intrinsic instability of metals due to surface plasma waves (SPWs) and raised the prospect of using it to create lossless SPWs. The counter-intuitive nature of this finding prompts one to ask, why had not this…