NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
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Cites work
- scientific article; zbMATH DE number 5719287 (Why is no real title available?)
- scientific article; zbMATH DE number 1145843 (Why is no real title available?)
- A Kohn-Sham equation solver based on hexahedral finite elements
- A hierarchical approach to adaptive local refinement in isogeometric analysis
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- Adaptive isogeometric analysis by local \(h\)-refinement with T-splines
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- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- 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
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
- Classical and enriched finite element formulations for Bloch-periodic boundary conditions
- Conformal solid T-spline construction from boundary T-spline representations
- Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations
- DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations
- Efficient quadrature for NURBS-based isogeometric analysis
- Electronic Structure
- Finite element approach for density functional theory calculations on locally-refined meshes
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
- Finite-element methods in electronic-structure theory
- Hierarchical T-splines: analysis-suitability, Bézier extraction, and application as an adaptive basis for isogeometric analysis
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- Higher-order finite-difference formulation of periodic orbital-free density functional theory
- ISOGEOMETRIC ANALYSIS: APPROXIMATION, STABILITY AND ERROR ESTIMATES FOR h-REFINED MESHES
- Isogeometric analysis in electronic structure calculations
- Isogeometric analysis using LR B-splines
- Isogeometric analysis using T-splines
- Isogeometric analysis. Toward integration of CAD and FEA
- Isogeometric analysis: CAD, finite elements, NURBS, exact geometry and mesh refinement
- Isogeometric methods for numerical simulation. Papers based on the presentations at the course
- Isogeometric spline forests
- LAPACK Users' Guide
- New algebraic formulation of density functional calculation
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Non-periodic finite-element formulation of orbital-free density functional theory
- Numerical methods for Kohn–Sham density functional theory
- Numerical methods for large eigenvalue problems
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
- On the convergence of the finite element method for problems with singularity
- Optimal quadrature rules for odd-degree spline spaces and their application to tensor-product-based isogeometric analysis
- PetIGA: a framework for high-performance isogeometric analysis
- Quantum mechanics.
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- THB-splines: The truncated basis for hierarchical splines
- \texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations
Cited in
(9)- A mesh-free convex approximation scheme for Kohn-sham density functional theory
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- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Hybrid finite element/multipole expansion method for atomic Kohn-Sham density functional theory calculations
- Higher-order finite element methods for Kohn-Sham density functional theory
- B-splines and NURBS based finite element methods for Kohn-Sham equations
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- A mixed basis density functional approach for one-dimensional systems with B-splines
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
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