Matrix-Free Locally Adaptive Finite Element Solution of Density-Functional Theory With Nonorthogonal Orbitals and Multigrid Preconditioning-Reference-Cited by-同舟云学术

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Matrix-Free Locally Adaptive Finite Element Solution of Density-Functional Theory With Nonorthogonal Orbitals and Multigrid Preconditioning

Published:2018-07-08 Issue:9 Volume:255 Page:1800069
ISSN:0370-1972
Container-title:physica status solidi (b)
language:en
Short-container-title:Phys. Status Solidi B

Author:

Davydov Denis¹^ORCID,Heister Timo²,Kronbichler Martin³,Steinmann Paul¹

Affiliation:

1. Chair of Applied Mechanics, University of Erlangen-Nuremberg; Egerlandstr. 5 91058 Erlangen Germany

2. Mathematical Sciences, Clemson University; O-110 Martin Hall Clemson SC 29634-0975 USA

3. Institute for Computational Mechanics, Technical University of Munich; Boltzmannstr. 15 85748 Garching b. Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/pssb.201800069/fullpdf

Reference58 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Direct minimization to generate electronic states with proper occupation numbers

4. First-Principles Calculations in Real-Space Formalism

5. Electronic-structure calculations and molecular-dynamics simulations with linear system-size scaling

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1. On the construction of an efficient finite-element solver for phase-field simulations of many-particle solid-state-sintering processes;Computational Materials Science;2024-01

2. Algorithms and Data Structures for Matrix-Free Finite Element Operators with MPI-Parallel Sparse Multi-Vectors;ACM Transactions on Parallel Computing;2020-08-05

3. NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations;Journal of Computational Physics;2020-06

4. DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations;Computer Physics Communications;2020-01

5. ExaDG: High-Order Discontinuous Galerkin for the Exa-Scale;Software for Exascale Computing - SPPEXA 2016-2019;2020

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