Related papers: A straightforward a posteriori method for reductio…
In this article, a posteriori error analysis of the elliptic obstacle problem is addressed using hybrid high-order methods. The method involve cell unknowns represented by degree-$r$ polynomials and face unknowns represented by degree-$s$…
Integral equations frequently arise in surface science, and in some cases, they must be treated as inverse problems. In our previous work on optical tweezers, atomic force microscopy, and surface force measurement apparatus, we performed…
The focus of this paper is the efficient computation of counterparty credit risk exposure on portfolio level. Here, the large number of risk factors rules out traditional PDE-based techniques and allows only a relatively small number of…
We investigate the application of a posteriori error estimates to a fractional optimal control problem with pointwise control constraints. Specifically, we address a problem in which the state equation is formulated as an integral form of…
An element based adaptation method is developed for an anisotropic a posteriori error estimator. The adaptation does not make use of a metric, but instead equidistributes the error over elements using local mesh modifications. Numerical…
In this paper we present a simple method of deriving a posteriori error equalities and estimates for linear elliptic and parabolic partial differential equations. The error is measured in a combined norm taking into account both the primal…
The numerical solution of an ordinary differential equation can be interpreted as the exact solution of a nearby modified equation. Investigating the behaviour of numerical solutions by analysing the modified equation is known as backward…
Tailored coupled cluster theory represents a computationally inexpensive way to describe static and dynamical electron correlation effects. In this work, we scrutinize the performance of various tailored coupled cluster methods externally…
This paper introduces a simple variant of the power method. It is shown analytically and numerically to accelerate convergence to the dominant eigenvalue/eigenvector pair; and, it is particularly effective for problems featuring a small…
Coupled cluster theory is one of the most popular post-Hartree-Fock methods for ab initio molecular quantum chemistry. The finite-size error of the correlation energy in periodic coupled cluster calculations for three-dimensional insulating…
Spectral clustering is one of the most popular clustering methods. However, the high computational cost due to the involved eigen-decomposition procedure can immediately hinder its applications in large-scale tasks. In this paper we use…
We decompose the energy error of any variational DFT calculation into a contribution due to the approximate functional and that due to the approximate density. Typically, the functional error dominates, but in many interesting situations,…
Power-suppressed corrections coming from the end-point integration regions in the amplitude of the process $\gamma^{*}\gamma \to \pi \pi$ at large $Q^2$ and small squared center-of-mass energy $W^2$ are calculated in the QCD hard-scattering…
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. The recently developed adaptive local basis functions form an accurate and systematically improvable basis set for solving Kohn-Sham density…
We consider perturbation defects obtained by perturbing a 2D conformal field theory (CFT) by a relevant operator on a half-plane. If the perturbed bulk theory flows to an infrared fixed point described by another CFT, the defect flows to a…
A posteriori error estimators for the symmetric mixed finite element methods for linear elasticity problems of Dirichlet and mixed boundary conditions are proposed. Stability and efficiency of the estimators are proved. Finally, we provide…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
Gaussian mixture filters for nonlinear systems usually rely on severe approximations when calculating mixtures in the prediction and filtering step. Thus, offline approximations of noise densities by Gaussian mixture densities to reduce the…
In this paper we extend the rank-reduced coupled-cluster formalism to the calculation of non-iterative energy corrections due to quadruple excitations. There are two major components of the proposed formalism. The first is an approximate…
Optimal reconstruction of a source sequence from multiple noisy traces corrupted by random insertions, deletions, and substitutions typically requires joint processing of all traces, leading to computational complexity that grows…