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swMATH22461MaRDI QIDQ34253FDOQ34253

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Described by source

• Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation

Cited In (15)

• Numerical methods for Kohn–Sham density functional theory
• Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
• Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory
• More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
• The Eigenvalues Slicing Library (EVSL): Algorithms, Implementation, and Software
• Accelerating large partial EVD/SVD calculations by filtered block Davidson methods
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems
• A spectral scheme for Kohn-Sham density functional theory of clusters
• RESCU: a real space electronic structure method
• A block Chebyshev-Davidson method for linear response eigenvalue problems
• Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters

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