Related papers: Quasiparticle and fully self-consistent GW methods…
Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps…
The performance of two recent {\em ab initio} computational thermochemistry schemes, W1 and W2 theory [J.M.L. Martin and G. de Oliveira, J. Chem. Phys. 111, 1843 (1999}], is assessed for an enlarged sample of thermochemical data consisting…
We perform simulations of general relativistic rotating stellar core collapse and compute the gravitational waves (GWs) emitted in the core bounce phase of three representative models via multiple techniques. The simplest technique, the…
We show that quasiparticle (QP) energies as calculated in the $GW$ approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap integrals between occupied orbitals and high energy, plane wave…
We present quasiparticle self-consistent GW (QSGW) calculations of semimetallic bulk Bi. We go beyond the conventional QSGW method by including the spin-orbit coupling throughout the self-consistency cycle. This approach improves the…
We present an improved subdominant-mode amplitude (SMA) test of general relativity (GR), which probes amplitude-level deviations in the higher-order modes of gravitational-wave (GW) signals from binary black hole mergers while keeping the…
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 $GW$ approximation has become a method of choice for predicting quasiparticle properties in solids and large molecular systems, owing to its favorable accuracy-cost balance. However, its accuracy is the result of a fortuitous…
Quasi-particle model of quark gluon plasma is the statistical mechanics of particles with medium dependent mass, related to plasma frequency, which was proposed to describe the thermodynamics of the medium itself. At relativistic limit the…
Employing the $G_0W_0$ approximation of Hedin's $GW$ approach one can obtain quasi-particle energies of extended systems and molecules with good accuracy. However, for many materials, semi-local exchange-correlation functionals are…
Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…
We present a wave generalization of the classic Schwarzschild method for constructing self-consistent halos -- such a halo consists of a suitable superposition of waves instead of particle orbits, chosen to yield a desired mean density…
We present a method to calculate the electronic charge density of periodic solids in the GW approximation, using the space-time method. We investigate for the examples of silicon and germanium to what extent the GW approximation is…
In this article, we extend previous studies based on CMB spherical harmonic phases (SHP) to examine the validity of the hypothesis that the temperature field of the CMB is consistent with a Gaussian random field (GRF). The null hypothesis…
For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the $\Delta$-Self-Consistent-Field method based on density functional theory (DFT), and the GW…
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives…
Self-similar solutions of the coherent diffusion equation are derived and measured. The set of real similarity solutions is generalized by the introduction of a nonuniform phase surface, based on the elegant Gaussian modes of optical…
Crosscorrelation of the outputs of two Gravitational Wave (GW) detectors has recently been proposed [1] as a method for detecting statistical association between GWs and Gamma Ray Bursts (GRBs). Unfortunately, the method can be effectively…
We develop a unified framework for testing gravity beyond General Relativity (GR) with continuous gravitational waves (CWs) from individual supermassive black hole binaries (SMBHBs). These long-lived, nearly monochromatic nanohertz signals…
We present the first systematic comparison between gravitational waveforms emitted by inspiralling, quasi-circular and nonspinning black hole binaries computed with three different approaches: second-order gravitational self-force (2GSF)…