Pages that link to "Item:Q856382"

The following pages link to Self-consistent-field calculations using Chebyshev-filtered subspace iteration (Q856382):

Displaying 50 items.

• Block iterative eigensolvers for sequences of correlated eigenvalue problems (Q340074) (← links)
• Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712) (← links)
• Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations (Q348188) (← links)
• Massively-parallel electron dynamics calculations in real-time and real-space: toward applications to nanostructures of more than ten-nanometers in size (Q348982) (← links)
• Correlations in sequences of generalized eigenproblems arising in density functional theory (Q350730) (← links)
• Practical acceleration for computing the HITS expertrank vectors (Q442725) (← links)
• A block Chebyshev-Davidson method for linear response eigenvalue problems (Q503482) (← links)
• Bounding the spectrum of large Hermitian matrices (Q541913) (← links)
• A block Chebyshev-Davidson method with inner-outer restart for large eigenvalue problems (Q608819) (← links)
• Algorithms for the evolution of electronic properties in nanocrystals (Q710190) (← links)
• Rapid iterative method for electronic-structure eigenproblems using localised basis functions (Q710323) (← links)
• Ab initio molecular simulations with numeric atom-centered orbitals (Q711800) (← links)
• Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633) (← links)
• A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
• RESCU: a real space electronic structure method (Q729415) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport (Q1682668) (← links)
• High-performance implementation of Chebyshev filter diagonalization for interior eigenvalue computations (Q1685101) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
• Cucheb: a GPU implementation of the filtered Lanczos procedure (Q1737460) (← links)
• A spectrum slicing method for the Kohn-Sham problem (Q1948847) (← links)
• Orbital-enriched flat-top partition of unity method for the Schrödinger eigenproblem (Q1986389) (← links)
• Triangularized orthogonalization-free method for solving extreme eigenvalue problems (Q2103436) (← links)
• Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← links)
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← links)
• Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials (Q2234044) (← links)
• Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (Q2246291) (← links)
• More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT (Q2312100) (← links)
• Real-space density functional theory and time dependent density functional theory using finite/infinite element methods (Q2375383) (← links)
• Efficient solution of the Schrödinger-Poisson equations in layered semiconductor devices (Q2390425) (← links)
• Relationships among contour integral-based methods for solving generalized eigenvalue problems (Q2396917) (← links)
• On the computation of large-scale self-consistent-field iterations (Q2399216) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
• DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744) (← links)
• KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set (Q2700744) (← links)
• Approximating spectral densities of large matrices (Q2808266) (← links)
• A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems (Q2818245) (← links)
• Computing partial spectra with least-squares rational filters (Q2827038) (← links)
• Mathematical modeling of semiconductor quantum dots based on the nonparabolic effective-mass approximation (Q2852189) (← links)
• Computational Materials Science and Engineering (Q3300493) (← links)
• Low-Rank Matrix Iteration Using Polynomial-Filtered Subspace Extraction (Q3300851) (← links)
• Rotations of occupied invariant subspaces in self-consistent field calculations (Q3544642) (← links)
• Fast Computation of Spectral Densities for Generalized Eigenvalue Problems (Q4584929) (← links)
• Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning (Q4599999) (← links)
• Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators (Q4627445) (← links)
• Higher-Order Finite Element Methods for Kohn-Sham Density Functional Theory (Q5051072) (← links)
• (Q5053271) (← links)
• Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format (Q5161696) (← links)
• Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)