NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532): Difference between revisions

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Property / describes a project that uses: PetIGA / rank
 
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Normal rank
Property / OpenAlex ID
 
Property / OpenAlex ID: W3009258718 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Electronic Structure / rank
 
Normal rank
Property / cites work
 
Property / cites work: Non-periodic finite-element formulation of Kohn-Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Self-consistent-field calculations using Chebyshev-filtered subspace iteration / rank
 
Normal rank
Property / cites work
 
Property / cites work: Finite-element methods in electronic-structure theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Finite element approach for density functional theory calculations on locally-refined meshes / rank
 
Normal rank
Property / cites work
 
Property / cites work: Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh / rank
 
Normal rank
Property / cites work
 
Property / cites work: Classical and enriched finite element formulations for Bloch-periodic boundary conditions / rank
 
Normal rank
Property / cites work
 
Property / cites work: A Kohn-Sham equation solver based on hexahedral finite elements / rank
 
Normal rank
Property / cites work
 
Property / cites work: B-splines and NURBS based finite element methods for Kohn-Sham equations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Higher-order adaptive finite-element methods for Kohn-Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation / rank
 
Normal rank
Property / cites work
 
Property / cites work: Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Numerical methods for Kohn–Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Higher-order adaptive finite-element methods for orbital-free density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Higher-order finite-difference formulation of periodic orbital-free density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric analysis in electronic structure calculations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric analysis: CAD, finite elements, NURBS, exact geometry and mesh refinement / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric Analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric methods for numerical simulation. Papers based on the presentations at the course / rank
 
Normal rank
Property / cites work
 
Property / cites work: Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q4386038 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q5386254 / rank
 
Normal rank
Property / cites work
 
Property / cites work: New algebraic formulation of density functional calculation / rank
 
Normal rank
Property / cites work
 
Property / cites work: Non-periodic finite-element formulation of orbital-free density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation / rank
 
Normal rank
Property / cites work
 
Property / cites work: \texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations / rank
 
Normal rank
Property / cites work
 
Property / cites work: A hierarchical approach to adaptive local refinement in isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: THB-splines: The truncated basis for hierarchical splines / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric analysis using LR B-splines / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric spline forests / rank
 
Normal rank
Property / cites work
 
Property / cites work: Isogeometric analysis using T-splines / rank
 
Normal rank
Property / cites work
 
Property / cites work: Adaptive isogeometric analysis by local \(h\)-refinement with T-splines / rank
 
Normal rank
Property / cites work
 
Property / cites work: Conformal solid T-spline construction from boundary T-spline representations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Hierarchical T-splines: analysis-suitability, Bézier extraction, and application as an adaptive basis for isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: LAPACK Users' Guide / rank
 
Normal rank
Property / cites work
 
Property / cites work: Numerical Methods for Large Eigenvalue Problems / rank
 
Normal rank
Property / cites work
 
Property / cites work: Efficient quadrature for NURBS-based isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: Reduced Bézier element quadrature rules for quadratic and cubic splines in isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: Optimal quadrature rules for odd-degree spline spaces and their application to tensor-product-based isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q3566755 / rank
 
Normal rank
Property / cites work
 
Property / cites work: ISOGEOMETRIC ANALYSIS: APPROXIMATION, STABILITY AND ERROR ESTIMATES FOR h-REFINED MESHES / rank
 
Normal rank
Property / cites work
 
Property / cites work: PetIGA: a framework for high-performance isogeometric analysis / rank
 
Normal rank
Property / cites work
 
Property / cites work: An \(h\)-adaptive finite element solver for the calculations of the electronic structures / rank
 
Normal rank
Property / cites work
 
Property / cites work: A multilevel correction adaptive finite element method for Kohn-Sham equation / rank
 
Normal rank
Property / cites work
 
Property / cites work: A spectral scheme for Kohn-Sham density functional theory of clusters / rank
 
Normal rank
Property / cites work
 
Property / cites work: On the convergence of the finite element method for problems with singularity / rank
 
Normal rank

Latest revision as of 02:10, 23 July 2024

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NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
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    NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (English)
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    7 July 2020
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    density functional theory
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    real space
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    finite elements
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    B-splines
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    all-electron
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    pseudopotential
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