Related papers: Cubic scaling $GW$: towards fast quasiparticle cal…
We analyze a data set comprising 370 GW band structures composed of 61716 quasiparticle (QP) energies of two-dimensional (2D) materials spanning 14 crystal structures and 52 elements. The data results from PAW plane wave based one-shot…
We probe ultra-low-frequency gravitational waves (GWs) with statistics of spin-down rates of milli-second pulsars (MSPs) by a method proposed in our prevous work (Yonemaru et al. 2016). The considered frequency range is $10^{-12}{\rm Hz}…
Within the Standard Model with non-linearly realised electroweak symmetry, the LHC Higgs boson may reside in a singlet representation of the gauge group. Several new interactions are then allowed, including anomalous Higgs self-couplings,…
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of $\mathbf{k}$ points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport…
The electronic structure of surfaces and interfaces plays a key role in the properties of quantum devices. Here, we study the electronic structure of realistic Al/InAs/Al heterojunctions using a combination of density functional theory…
What is the maximum possible strength of a first-order electroweak phase transition and the resulting gravitational wave (GW) signal? While naively one might expect that supercooling could increase the strength of the transition to very…
Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
Selection of physically meaningful solutions of the Wheeler-DeWitt equation for the wavefunction in quantum cosmology, can be attained by a reduction of the theory to the sector of true physical degrees of freedom and their canonical…
Application of the so-called refined algebraic quantization scheme for constrained systems to the relativistic particle provides an inner product that defines a unique Fock representation for a scalar field in curved space-time. The…
In [1], we initiated a program for the quantitative investigation of dynamical chiral symmetry breaking and resonant bound states in QCD with the functional renormalisation group, concentrating on the full infrared dynamics of four-quark…
Observable estimation is a core primitive in NISQ-era algorithms targeting quantum chemistry applications. To reduce the state preparation overhead required for accurate estimation, recent works have proposed various simultaneous…
We construct an efficient momentum space approach to the superconductivity in quasiperiodic multilayer systems. To this end, we extend the Brillouin zone (BZ) folding method to the superconducting (SC) phases by formulating the gap equation…
We calculate single-particle excitation energies for a series of 33 molecules using fully selfconsistent GW, one-shot G$_0$W$_0$, Hartree-Fock (HF), and hybrid density functional theory (DFT). All calculations are performed within the…
With a new unifying model for layered rotating shallow-water (RSW) and quasi-geostrophic (QG) equations, this paper sheds light on the relation between these two sets of equations. We propose here a new formulation of the quasi-geostrophic…
We study the quasi-particle spectrum of the integrable three-state chiral Potts chain in the massive phase by combining a numerical study of the zeroes of associated transfer matrix eigenvalues with the exact results of the ferromagnetic…
By recasting the non-linear frequency-dependent $GW$ quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discontinuities in various physical quantities computed within the…
We present a spectrally accurate fast algorithm for evaluating the solution to the scalar wave equation in free space driven by a large collection of point sources in a bounded domain. With $M$ sources temporally discretized by $N_t$ time…
On the basis of the self-consistent calculation scheme for the electron self-energy with the use of the three-point vertex function always satisfying the Ward identity, we find that the obtained quasiparticle dispersion in the normal state…
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately…