Related papers: Gaussian-Based Quasiparticle Self-Consistent $GW$ …
The many-body perturbation theory within the $GW$ approximation is a widely used method for describing the electronic band structures in real materials. Its application to large-scale systems is, however, impeded by its high computational…
In this paper, a technique for constructing quasiperiodic structures is suggested, which allows one by the assigned matching to restore the atoms density distribution formula of a corresponding quasicrystal. The algorithm to restore the…
We discuss the implementation of quasiparticle calculations for point defects on semiconductor surfaces and, as a specific example, present an ab initio study of the electronic structure of the As vacancy in the +1 charge state on the…
A novel approach for GW-based calculations of quasiparticle properties for finite systems is presented, in which the screened interaction is obtained directly from a linear response calculation of the density-density correlation function.…
We present first-principles calculations of the impact ionization rate (IIR) in the $GW$ approximation ($GW$A) for semiconductors. The IIR is calculated from the quasiparticle (QP) width in the $GW$A, since it can be identified as the decay…
We give the alternative formulation of quasiparticle model of quark gluon plasma with medium dependent dispersion relation. The model is thermodynamically consistent provided the medium dependent contribution to the energy density is taken…
Non-Gaussian operations are essential for most bosonic quantum technologies. Yet, realizable non-Gaussian gates are rather limited in type and generally suffer from accuracy-duration trade-offs. In this work, we propose to use quantum…
The standard noise model in gravitational wave (GW) data analysis assumes detector noise is stationary and Gaussian distributed, with a known power spectral density (PSD) that is usually estimated using clean off-source data. Real GW data…
A GW approximation (GWA) method named U+GWA is proposed, where we can start GWA with more localized wave functions obtained by the local spin-density approximation (LSDA)+U method. Then GWA and U+GWA are applied to MnO, NiO, and V$_2$O$_3$…
We introduce stochastic GW with the orthogonalized projector augmented-wave method (OPAW-sGW). This implementation enables accurate quasiparticle band gaps on significantly coarser real-space grids than norm-conserving pseudopotential sGW…
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…
We present a generalized quasi-particle theory for bosonic lattice systems, which naturally contains all relevant collective modes, including the Higgs amplitude in the strongly correlated superfluid. In contrast to Bogoliubov theory, this…
The dependence of ab initio many-body perturbation theory within the $GW$ approximation on the eigensystem used in calculating quasiparticle corrections limits this method's predictive power. Here, we investigate the accuracy of the…
The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…
Hedin's $GW$ approximation to the electronic self-energy has been impressively successful to calculate quasiparticle energies, such as ionization potentials, electron affinities, or electronic band structures. The success of this fairly…
Analyses of quasi-periodic oscillations (QPOs) are important to understanding the dynamic behaviour in many astrophysical objects during transient events like gamma-ray bursts, solar flares, magnetar flares and fast radio bursts.…
The Quantum Skip Gate (QSG) is a unitary circuit primitive that coherently superposes the execution and omission of an expensive quantum subroutine based on the outcome of a cheaper preceding subroutine, without mid-circuit measurement or…
In this study, we have investigated the ground state energy level of electrons in modulation doped GaAs/AlxGa1-xAs heterojunctions. For this purpose, Schrodinger and Poisson equations are solved self consistently using quantum genetic…
On the basis of first-principles GW calculations, we study the quasiparticle properties of the guanine, adenine, cytosine, thymine, and uracil DNA and RNA nucleobases. Beyond standard G0W0 calculations, starting from Kohn-Sham eigenstates…
We analyze the validity of a quasiparticle description of a superconducting state at a metallic quantum-critical point (QCP). A normal state at a QCP is a non-Fermi liquid with no coherent quasiparticles. A superconducting order gaps out…