Related papers: Linearized self-consistent quasiparticle GW method…
We construct a Convolution Quadrature (CQ) scheme for the quasilinear subdiffusion equation of order $\alpha$ and supply it with the fast and oblivious implementation. In particular, we find a condition for the CQ to be admissible and…
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.…
Scattering of femtosecond laser pulses on resonant transmission and reflection gratings made of dispersive (Drude metals) and dielectric materials is studied by a time-domain numerical algorithm for Maxwell's theory of linear passive…
The $GW$ method is widely used for calculating the electronic band structure of materials. The high computational cost of $GW$ algorithms prohibits their application to many systems of interest. We present a periodic, low-scaling and highly…
This paper introduces an auto-stabilized weak Galerkin (WG) finite element method for biharmonic equations with built-in stabilizers. Unlike existing stabilizer-free WG methods limited to convex elements in finite element partitions, our…
We analyze quantitatively the accuracy of eigenfunction and eigenvalue calculations in the frame work of WKB and instanton semiclassical methods. We show that to estimate the accuracy it is enough to compare two linearly independent (with…
We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa_2Cu_3O_7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to…
$GW$ is an accurate method for computing electron addition and removal energies of molecules and solids. In a conventional $GW$ implementation, however, its computational cost is $O(N^4)$ in the system size $N$, which prohibits its…
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…
We extend the stochastic GW (sGW) formalism to fully spin-polarized systems, encompassing both collinear and non-collinear spin configurations. For non-collinear systems-where Kohn-Sham states are complex two-component spinors-we develop a…
We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further…
This paper is concerned with the semilinear damped wave equation on a measure space with a self-adjoint operator, instead of the standard Laplace operator. Under a certain decay estimate on the corresponding heat semigroup, we establish the…
The weak Galerkin (WG) finite element method is an effective and flexible general numerical technique for solving partial differential equations. It is a natural extension of the classic conforming finite element method for discontinuous…
We introduce an algorithm based on Generalized Dual Method (GDM) to efficiently study the dynamics of a particle in quasiperiodic environments without the need to use periodic approximations or to save the information of the vertices that…
We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…
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…
We propose a Lawson-time-splitting extended Fourier pseudospectral (LTSeFP) method for the numerical integration of the Gross-Pitaevskii equation with time-dependent potential that is of low regularity in space. For the spatial…
While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many…
Time-slicing has emerged as a strategy for incorporating semiclassical propagation into real-time path integral formulation and recovering full quantum dynamics. A central step is the decomposition of a time-evolved wave function into a…
This paper presents a novel approach for the identification of linear time-periodic (LTP) systems in continuous time. This method is based on harmonic modeling and consists in converting any LTP system into an equivalent LTI system with…