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To obtain convergent numerical approximations without using any orthogonalization operations is of great importance in electronic structure calculations. In this paper, we propose and analyze a class of iteration schemes for the discretized…

Numerical Analysis · Mathematics 2022-09-28 Xiaoying Dai , Liwei Zhang , Aihui Zhou

The paper is concerned with parabolic time-periodic boundary value problems which are of theoretical interest and arise in different practical applications. The multiharmonic finite element method is well adapted to this class of parabolic…

Numerical Analysis · Mathematics 2014-11-12 Ulrich Langer , Sergey Repin , Monika Wolfmayr

In this paper, a novel adaptive finite element method is proposed to solve the Kohn-Sham equation based on the moving mesh (nonnested mesh) adaptive technique and the augmented subspace method. Different from the classical self-consistent…

Numerical Analysis · Mathematics 2024-05-01 Guanghui Hu , Hehu Xie , Fei Xu , Gang Zhao

We derive globally reliable a posteriori error estimators for a PDE-constrained optimization problem involving linear models in fluid dynamics as state equation; control constraints are also considered. The corresponding local error…

Numerical Analysis · Mathematics 2017-08-03 Alejandro Allendes , Enrique Otarola , Richard Rankin

We revisit the extendability-based semi-definite programming hierarchy introduced by Berta et al. [Mathematical Programming, 1 - 49 (2021)], which provides converging outer bounds on the optimal fidelity of approximate quantum error…

Quantum Physics · Physics 2025-07-17 Gereon Koßmann , Julius A. Zeiss , Omar Fawzi , Mario Berta

This work is concerned with the proof of \emph{a posteriori} error estimates for fully-discrete Galerkin approximations of the Allen-Cahn equation in two and three spatial dimensions. The numerical method comprises of the backward Euler…

Numerical Analysis · Mathematics 2019-07-30 Konstantinos Chrysafinos , Emmanuil H. Georgoulis , Dimitra Plaka

This paper presents a posteriori error estimates for conforming numerical approximations of eigenvalue clusters of second-order self-adjoint elliptic linear operators with compact resolvent. Given a cluster of eigenvalues, we estimate the…

Numerical Analysis · Mathematics 2020-08-11 Eric Cancès , Geneviève Dusson , Yvon Maday , Benjamin Stamm , Martin Vohralík

Generalized polynomial chaos expansions are a powerful tool to study differential equations with random coefficients, allowing in particular to efficiently approximate random invariant sets associated to such equations. In this work, we use…

Numerical Analysis · Mathematics 2022-03-07 Maxime Breden

We derive a reliable a posteriori error estimate for a cell-centered finite volume scheme approximating a cross-diffusion system modeling ion transport through nanopores. To this end, we derive a stability framework that is independent of…

Numerical Analysis · Mathematics 2025-07-28 Arne Berrens , Jan Giesselmann

We consider a class of nonlinear elliptic problems associated with models in biophysics, which are described by the Poisson-Boltzmann equation (PBE). We prove mathematical correctness of the problem, study a suitable class of…

Numerical Analysis · Mathematics 2020-12-15 Johannes Kraus , Svetoslav Nakov , Sergey Repin

We present an a posteriori error estimate based on equilibrated stress reconstructions for the finite element approximation of a unilateral contact problem with weak enforcement of the contact conditions. We start by proving a guaranteed…

Numerical Analysis · Mathematics 2021-09-27 Daniele Antonio Di Pietro , Ilaria Fontana , Kyrylo Kazymyrenko

The aim of this paper is the derivation of an a-posteriori error estimate for a numerical method based on an exponential scheme in time and spectral Galerkin methods in space. We obtain analytically a rigorous bound on the mean square error…

Numerical Analysis · Mathematics 2017-11-15 Dirk Blömker , Minoo Kamrani

For compact self-adjoint operators in Hilbert spaces, two algorithms are proposed to provide fully computable a posteriori error estimate for eigenfunction approximation. Both algorithms apply well to the case of tight clusters and multiple…

Numerical Analysis · Mathematics 2022-07-19 Xuefeng Liu , Tomáš Vejchodský

We present a fully computable a posteriori error estimator for piecewise linear finite element approximations of reaction-diffusion problems with mixed boundary conditions and piecewise constant reaction coefficient formulated in arbitrary…

Numerical Analysis · Mathematics 2015-07-06 Mark Ainsworth , Tomáš Vejchodský

This work focuses on the development of a posteriori error estimates for fourth-order, elliptic, partial differential equations. In particular, we propose a novel algorithm to steer an adaptive simulation in the context of Kirchhoff plates…

Numerical Analysis · Mathematics 2020-04-22 Pablo Antolin , Annalisa Buffa , Luca Coradello

In recent years, half precision floating-point arithmetic has gained wide support in hardware and software stack thanks to the advance of artificial intelligence and machine learning applications. Operating at half precision can…

Numerical Analysis · Mathematics 2024-09-19 Longfei Gao , Kevin Harms

This paper presents and compares three analytical methods for calculating low frequency band gap boundaries in doubly periodic arrays of resonating thin elastic shells. It is shown that both lattice sum expansions in the vicinity of its…

Mathematical Physics · Physics 2015-06-05 Anton Krynkin , Olga Umnova , Shahram Taherzadeh , Keith Attenborough

Based on a quantitative version of the inverse function theorem and an appropriate saddle-point formulation we derive a quasi-optimal error estimate for the finite element approximation of harmonic maps into spheres with a nodal…

Numerical Analysis · Mathematics 2022-09-27 Sören Bartels , Christian Palus , Zhangxian Wang

Classical simulations of noisy stabilizer circuits are often used to estimate the threshold of a quantum error-correcting code. Physical noise sources are efficiently approximated by random insertions of Pauli operators. For a single qubit,…

Quantum Physics · Physics 2015-03-05 Mauricio Gutiérrez , Kenneth R. Brown

In this paper we describe how to improve the performance of the symbolic-numeric method in (Li and Zhi,2009, 2011) for computing the multiplicity structure and refining approximate isolated singular solutions in the breadth one case. By…

Numerical Analysis · Mathematics 2012-12-20 Nan Li , Lihong Zhi