Related papers: Alternative treatment of relativistic effects in l…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within…
We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…
Isotope shift of atomic spectra is considered as a probe of new interaction between electrons and neutrons in atoms. We employ the method of seeking a breakdown of King's linearity in the isotope shifts of two atomic transitions. In the…
To study crystals that contain heavy atoms, it is important to consider the relativistic effects, as electrons in orbitals close to the atom's nucleus can reach speeds comparable to that of light in a vacuum. In this study, we utilized the…
We formulate a Hartree-Fock-LAPW method for electronic band structure calculations. The method is based on the Hartree-Fock-Roothaan approach for solids with extended electron states and closed core shells where the basis functions of…
We derive a general relativistic Hamiltonian valid for both bound and scattering systems by reducing the four-component Dirac equation to a two-component Dirac-Pauli form. Unlike conventional approaches, our formulation includes first-order…
General O(alpha) radiative corrections to lattice actions may be interpreted as counterterms that give additive contributions to the one-loop renormalisation of the anisotropy. The effect of changing the radiative coefficients is thus…
Emerging possibilities for creating and studying novel plasma regimes, e.g. relativistic plasmas and dense systems, in a controlled laboratory environment also requires new modeling tools for such systems. This brings motivation for…
We report a precise determination of the lifetime of the (4p)$^2$P$_{3/2}$ state of $^{40}$Ca$^+$, $\tau_{\textrm{P}_{3/2}}=6.639(42)$ ns, using a combination of measurements of the induced light shift and scattering rate on a single…
We used our previously implemented GW approximation (GWA) based on the all-electron full-potential projector augmented wave (PAW) method to study the optical properties of small, medium and large-band-gap semiconductors: Si, GaAs, AlAs,…
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has…
We report a detailed study of the electronic structure of the MgB$_{2}$ with different lattice constants by using the full-potential linearized augmented plane wave(FPLAPW) method. It is found that the lattice parameters have great effect…
We use the relativistic distorted wave impulse approximation to analyze data on 16O(e,e'p)15N at |Q^2|\leq 0.4 (GeV/c)^2 that were obtained by different groups and seemed controversial. Results for differential cross-sections, response…
We discuss the theoretical framework required for the computation of radiative corrections to semileptonic decay rates in lattice simulations, and in particular to those for $K_{\ell3}$ decays. This is an extension of the framework we have…
In the framework based on the quasipotential method and relativistic quark model a new covariant expression for the heavy quark fragmentation amplitude to fragment into the pseudoscalar and vector S-wave heavy mesons is obtained. It…
We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, many zincblende semiconductors, rock-salt and wurtzite…
First-principles calculations based on density functional theory and the pseudo\-potential method have been used to investigate the influence of gradient corrections to the standard LDA technique on the equilibrium structure and energetics…
In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn$_5$ (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and…