Computation of Large Invariant Subspaces Using Polynomial Filtered Lanczos Iterations with Applications in Density Functional Theory
From MaRDI portal
Publication:3609033
Recommendations
- Self-consistent-field calculations using Chebyshev-filtered subspace iteration
- A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix
- On the computation of large-scale self-consistent-field iterations
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
- A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems
Cited in
(16)- A spectrum slicing method for the Kohn-Sham problem
- Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials
- Computing partial spectra with least-squares rational filters
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
- Rational approximation to the Fermi-Dirac function with applications in density functional theory
- More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT
- Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
- On flexible block Chebyshev-Davidson method for solving symmetric generalized eigenvalue problems
- Limited‐memory polynomial methods for large‐scale matrix functions
- Direct minimization for ensemble electronic structure calculations
- Accelerating data uncertainty quantification by solving linear systems with multiple right-hand sides
- Self-consistent-field calculations using Chebyshev-filtered subspace iteration
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Cucheb: a GPU implementation of the filtered Lanczos procedure
- On Chebyshev-Davidson method for symmetric generalized eigenvalue problems
- On relaxed filtered Krylov subspace method for non-symmetric eigenvalue problems
This page was built for publication: Computation of Large Invariant Subspaces Using Polynomial Filtered Lanczos Iterations with Applications in Density Functional Theory
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3609033)