Related papers: Quasiparticle GW calculations for solids, molecule…
We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP…
We propose a self-consistent quasi-particle random phase approximation (QRPA) plus quasi-particle-vibration coupling (QPVC) model with Skyrme interactions to describe the width and the line shape of giant resonances in open-shell nuclei, in…
Quasiparticle interference has been used frequently for the purpose of unraveling the electronic states in the vicinity of the Fermi level as well as the nature of superconducting gap in the unconventional superconductors. Using the…
Choosing optimal representation methods of atomic and electronic structures is essential when machine learning properties of materials. We address the problem of representing quantum states of electrons in a solid for the purpose of machine…
Electrons in graphene with heavy adatoms (such as In or Tl) have been predicted to form a 2D topological insulator phase with a substantial spectral gap potentially suitable for future practical applications. In order to facilitate the…
We provide a quasi-one-dimensional model which can support a pair-density-wave (PDW) state, in which the superconducting (SC) order parameter modulates periodically in space, with gapless Bogoliubov quasiparticle excitations. The model…
The capacity of bandlimited direct-detection channels is challenging to compute or approach due to the receiver non-linearity. A generalized vector approximate message passing (GVAMP) detector is designed to achieve high rates at a…
A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si and Ge emerges from an analysis based on all-electron, self-consistent, GW calculations. The deep-core electrons are shown to play a key role via the exchange…
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…
We investigate the dynamical self-energy corrections of the electron-hole plasma due to electron-electron and electron-phonon interactions at the band edges of a quasi-one dimensional (1D) photoexcited electron-hole plasma. The…
Partial wave analysis is a key technique in hadron spectroscopy. The use of unbinned likelihood fits on large statistics data samples and ever more complex physics models makes this analysis technique computationally very expensive.…
Despite its reasonable accuracy for ground-state properties of semiconductors and insulators, second-order Moller-Plesset perturbation theory (MP2) significantly underestimates band gaps. Here, we evaluate the band gap predictions of…
The fundamental excitations in superconductors - Bogoliubov quasiparticles - can be either a resource or a liability in superconducting devices: they are what enables photon detection in microwave kinetic inductance detectors, but they are…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…
The modified Becke-Johnson exchange potential combined with local-density approximation correlation (mBJLDA) has recently attracted interest because it provides highly improved band gaps at a very low computational cost. In this work we…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
Theory predicts that quasiparticle tunneling between the counter-propagating edges in a fractional quantum Hall state can be used to measure the effective quasiparticle charge e* and dimensionless interaction parameter g, and thereby…
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental…
Using the quasiparticle self-consistent GW (QSGW) and local-density (LD) approximations, we calculate the q-dependent static dielectric function, and derive an effective 2D dielectric function corresponding to screening of point charges. In…