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We present an implementation of the multiconfiguration time-dependent Hartree-Fock method based on the adaptive finite element method for molecules under intense laser pulses. For efficient simulations, orbital functions are propagated by a…

Quantum Physics · Physics 2023-01-09 Yuki Orimo , Takeshi Sato , Kenichi L. Ishikawa

This paper is to introduce a type of full multigrid method for the nonlinear eigenvalue problem. The main idea is to transform the solution of nonlinear eigenvalue problem into a series of solutions of the corresponding linear boundary…

Numerical Analysis · Mathematics 2016-11-03 Shanghui Jia , Hehu Xie , Manting Xie , Fei Xu

This paper introduces a new computational methodology for determining a-posteriori multi-objective error estimates for finite-element approximations, and for constructing corresponding (quasi-)optimal adaptive refinements of finite-element…

Numerical Analysis · Mathematics 2016-11-23 E. H. van Brummelen , S. Zhuk , G. J. van Zwieten

We present a fully iterative adaptive algorithm for the numerical minimization of strongly convex energy functionals in Hilbert spaces. The proposed approach, which we first present in abstract form, generates a hierarchical sequence of…

Numerical Analysis · Mathematics 2026-02-26 Raphael Leu , Thomas P. Wihler

In this paper, we construct an adaptive multiscale method for solving H(curl)-elliptic problems in highly heterogeneous media. Our method is based on the generalized multiscale finite element method. We will first construct a suitable…

Numerical Analysis · Mathematics 2018-02-09 Eric T. Chung , Yanbo Li

We introduce an adaptive finite element scheme for the efficient approximation of a (large) collection of eigenpairs of selfadjoint elliptic operators in which the adaptive refinement is driven by the solution of a single source problem --…

Numerical Analysis · Mathematics 2025-06-03 Stefano Giani , Jeffrey Ovall , Gabriel Pinochet-Soto

In this paper, we propose an adaptive multilevel preconditioned Helmholtz-Jacobi-Davidson (PHJD) method for the Maxwell eigenvalue problem with singularities. The key idea in this work is to employ the local multilevel method for…

Numerical Analysis · Mathematics 2026-04-01 Qigang Liang , Xuejun Xu , Qingquan Zhang

We present a geometric multilevel optimization approach that smoothly incorporates box constraints. Given a box constrained optimization problem, we consider a hierarchy of models with varying discretization levels. Finer models are…

Optimization and Control · Mathematics 2024-04-23 Sebastian Müller , Stefania Petra , Matthias Zisler

In this paper, we introduce a multilevel algorithm for approximating variational formulations of symmetric saddle point systems. The algorithm is based on availability of families of stable finite element pairs and on the availability of…

Numerical Analysis · Mathematics 2013-05-14 Constantin Bacuta

We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can…

Numerical Analysis · Mathematics 2010-05-27 Thomas Witkowski , Axel Voigt

Localized features such as singularities, sharp gradients, discontinuities, and moving sources require adaptive finite element discretizations. Conventional refinement strategies introduce significant computational overhead through…

Computational Engineering, Finance, and Science · Computer Science 2026-04-29 Jan Niklas Schmäke , Martin Ruess

We formulate and analyze a goal-oriented adaptive finite element method for a symmetric linear elliptic partial differential equation (PDE) that can simultaneously deal with multiple linear goal functionals. In each step of the algorithm,…

Numerical Analysis · Mathematics 2026-01-06 Roland Becker , Maximilian Brunner , Paula Hilbert , Michael Innerberger , Dirk Praetorius

The convergence of an adaptive mixed finite element method for general second order linear elliptic problems defined on simply connected bounded polygonal domains is analyzed in this paper. The main difficulties in the analysis are posed by…

Numerical Analysis · Mathematics 2014-02-14 Asha K. Dond , Neela Nataraj , Amiya K. Pani

Finite element methods typically require a high resolution to satisfactorily approximate micro and even macro patterns of an underlying physical model. This issue can be circumvented by appropriate multiscale strategies that are able to…

Numerical Analysis · Mathematics 2025-12-24 Zhi-Song Liu , Roland Maier , Andreas Rupp

This work introduces an adaptive mesh refinement technique for hierarchical hybrid grids with the goal to reach scalability and maintain excellent performance on massively parallel computer systems. On the block structured hierarchical…

Numerical Analysis · Mathematics 2025-08-11 Benjamin Mann , Ulrich Rüde

This paper analyzes the random fluctuations obtained by a heterogeneous multi-scale first-order finite element method applied to solve elliptic equations with a random potential. We show that the random fluctuations of such solutions are…

Numerical Analysis · Mathematics 2019-02-20 Guillaume Bal , Wenjia Jing

In this work, we develop an adaptive algorithm for the efficient numerical solution of the minimum compliance problem in topology optimization. The algorithm employs the phase field approximation and continuous density field. The adaptive…

Optimization and Control · Mathematics 2024-04-18 Bangti Jin , Jing Li , Yifeng Xu , Shengfeng Zhu

In this work, we propose derivative-free framework for bilevel optimization. We consider both the upper and lower-level problems with bound constraints on the variables, as well as general nonlinear constraints, assuming that first-order…

Optimization and Control · Mathematics 2026-03-24 Edoardo Cesaroni , Giampaolo Liuzzi , Stefano Lucidi

The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…

Chemical Physics · Physics 2025-09-03 Fei Xu

A local and parallel algorithm based on the multilevel discretization is proposed in this paper to solve the eigenvalue problem by the finite element method. With this new scheme, solving the eigenvalue problem in the finest grid is…

Numerical Analysis · Mathematics 2014-01-21 Yu Li , Xiaole Han , Hehu Xie , Chunguang You