The reduced basis method in all-electron calculations with finite elements
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Publication:904237
DOI10.1007/s10444-014-9374-zzbMath1330.81241OpenAlexW2050634778MaRDI QIDQ904237
Volker Schauer, Christian Linder
Publication date: 13 January 2016
Published in: Advances in Computational Mathematics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10444-014-9374-z
finite element methodreduced basis methoddensity functional theoryall-electron calculationsKohn-Sham
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- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- Numerical simulation of dynamic fracture using finite elements with embedded discontinuities
- Three-dimensional finite elements with embedded strong discontinuities to model failure in electromechanical coupled materials
- A strong discontinuity approach on multiple levels to model solids at failure
- Reduced basis approximation and a posteriori error estimation for affinely parametrized elliptic coercive partial differential equations. Application to transport and continuum mechanics.
- Towards reduced basis approaches in ab initio electronic structure computations
- A reduced basis method applied to the restricted Hartree-Fock equations
- A constrained optimization algorithm for total energy minimization in electronic structure calculations
- New finite elements with embedded strong discontinuities in the finite deformation range
- A marching cubes based failure surface propagation concept for three-dimensional finite elements with non-planar embedded strong discontinuities of higher-order kinematics
- A Trust Region Direct Constrained Minimization Algorithm for the Kohn–Sham Equation
- Finite elements with embedded strong discontinuities for the modeling of failure in solids
- Classical and enriched finite element formulations for Bloch-periodic boundary conditions
- A finite element method for crack growth without remeshing
- Numerical Methods for Electronic Structure Calculations of Materials
- Electronic Structure
- Finite-element methods in electronic-structure theory
- Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers
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