On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
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Publication:2099726
DOI10.1016/j.jcp.2022.111674OpenAlexW3135290702MaRDI QIDQ2099726
Publication date: 18 November 2022
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2103.02824
finite element methodparallel computingKohn-Sham equationmultilevel correction methodseparately handing nonlinear terms
Numerical methods for partial differential equations, boundary value problems (65Nxx) Partial differential equations of mathematical physics and other areas of application (35Qxx) Quantum theory (81-XX)
Related Items (2)
A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model ⋮ An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model
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Cites Work
- Unnamed Item
- A full multigrid method for nonlinear eigenvalue problems
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique
- A Kohn-Sham equation solver based on hexahedral finite elements
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures
- B-splines and NURBS based finite element methods for Kohn-Sham equations
- \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
- Daubechies wavelets for high performance electronic structure calculations: the BigDFT project
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
- A full multigrid method for eigenvalue problems
- A multigrid method for eigenvalue problem
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- A multilevel correction adaptive finite element method for Kohn-Sham equation
- Numerical analysis of finite dimensional approximations of Kohn-Sham models
- Orbital-enriched flat-top partition of unity method for the Schrödinger eigenproblem
- \({h-P}\) finite element approximation for full-potential electronic structure calculations
- Finite element Hartree-Fock calculations in three dimensions for atoms and small molecules
- DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations
- Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
- Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory
- Classical and enriched finite element formulations for Bloch-periodic boundary conditions
- ARPACK Users' Guide
- A Convergent Adaptive Algorithm for Poisson’s Equation
- A multigrid method for nonlinear eigenvalue problems
- A Parallel Augmented Subspace Method for Eigenvalue Problems
- An Efficient Multigrid Method for Ground State Solution of Bose-Einstein Condensates
- A Class of Methods for Solving Nonlinear Simultaneous Equations
- A Multigrid Method for Ground State Solution of Bose-Einstein Condensates
- A multi-level correction scheme for eigenvalue problems
- Iterative Procedures for Nonlinear Integral Equations
- Finite-element methods in electronic-structure theory
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