Related papers: A posteriori error estimation for the non-self-con…
We propose a new generalised Kohn-Sham or constrained hybrid method, where the exchange potential is the (equally weighted) average of the nonlocal Fock exchange term and the self-interaction-corrected exchange potential, as obtained from…
We study the general problem of mixing for ab-initio quantum-mechanical problems. Guided by general mathematical principles and the underlying physics, we propose a multisecant form of Broydens second method for solving the self-consistent…
In this paper we analyze the finite element approximation of the Stokes equations with non-smooth Dirichlet boundary data. To define the discrete solution, we first approximate the boundary datum by a smooth one and then apply a standard…
Self-calibrating quantum state tomography aims at reconstructing the unknown quantum state and certain properties of the measurement devices from the same data. Since the estimates of the state and device parameters come from the same data,…
The paper is concerned with a posteriori error bounds for a wide class of numerical schemes, for $n\times n$ hyperbolic conservation laws in one space dimension. These estimates are achieved by a "post-processing algorithm", checking that…
The surface code represents a promising candidate for fault-tolerant quantum computation due to its high error threshold and experimental accessibility with nearest-neighbor interactions. However, current exact surface code threshold…
In this work, we derive a $\gamma$-robust a posteriori error estimator for finite element approximations of the Allen-Cahn equation with variable non-degenerate mobility. The estimator utilizes spectral estimates for the linearized steady…
We perform a posteriori error analysis in the supremum norm for the quadratic discontinuous Galerkin method for the elliptic obstacle problem. We define two discrete sets (motivated by Gaddam, Gudi and Kamana [1]), one set having integral…
In this paper, a posteriori error estimates of functional type for a stationary diffusion problem with nonsymmetric coefficients are derived. The estimate is guaranteed and does not depend on any particular numerical method. An algorithm…
We consider the approximation of singularly perturbed linear second-order boundary value problems by $hp$-finite element methods. In particular, we include the case where the associated differential operator may not be coercive. Within this…
We prove lower bounds on the error incurred when approximating any oscillating function using piecewise polynomial spaces. The estimates are explicit in the polynomial degree and have optimal dependence on the meshwidth and frequency when…
A posteriori error estimates are constructed for the three-field variational formulation of the Biot problem involving the displacements, the total pressure and the fluid pressure. The discretization under focus is the…
We present a real-space adaptive-coordinate method, which combines the advantages of the finite-difference approach with the accuracy and flexibility of the adaptive coordinate method. The discretized Kohn-Sham equations are written in…
Expectation Propagation is a very popular algorithm for variational inference, but comes with few theoretical guarantees. In this article, we prove that the approximation errors made by EP can be bounded. Our bounds have an asymptotic…
We derive the effective channel for a logical qubit protected by an arbitrary quantum error-correcting code, and derive the map between channels induced by concatenation. For certain codes in the presence of single-bit Pauli errors, we…
There is currently a significant need for robust and efficient methods for characterizing quantum devices. While there has been significant progress in this direction, there remains a crucial need to precisely determine the strength and…
Systematic errors are inevitable in most measurements performed in real life because of imperfect measurement devices. Reducing systematic errors is crucial to ensuring the accuracy and reliability of measurement results. To this end,…
In this paper we have derived explicitly computable bounds on the error in energy norms for the fully nonlinear Poisson-Boltzmann equation. Together with the computable bounds, we have also obtained efficient error indicators which can…
The general procedure underlying Hartree-Fock and Kohn-Sham density functional theory calculations consists in optimizing orbitals for a self-consistent solution of the Roothaan-Hall equations in an iterative process. It is often ignored…
We introduced and analyzed robust recovery-based a posteriori error estimators for various lower order finite element approximations to interface problems in [9, 10], where the recoveries of the flux and/or gradient are implicit (i.e.,…