Self-consistent-field calculations using Chebyshev-filtered subspace iteration
Authors:
- Yunkai ZhouYZYunkai Zhou
- Yousef SaadYSYousef Saad
- Murilo L. TiagoMTMurilo L. Tiago
- James R. ChelikowskyJCJames R. Chelikowsky
- 1 November 2006
- journal article
- Published by Elsevier in Journal of Computational Physics
- Vol. 219 (1) , 172-184
Abstract
No abstract availableKeywords
This publication has 34 references indexed in Scilit:
- Computing charge densities with partially reorthogonalized LanczosComputer Physics Communications, 2005
- Real-space pseudopotential method for computing the electronic properties of periodic systemsPhysical Review B, 2004
- The pseudopotential-density functional method applied to nanostructuresJournal of Physics D: Applied Physics, 2000
- Chebyshev expansion methods for electronic structure calculations on large molecular systemsThe Journal of Chemical Physics, 1997
- Large-scale electronic-structure calculations with multigrid accelerationPhysical Review B, 1995
- Adaptive multigrid techniques for large-scale eigenvalue problems: Solutions of the Schrödinger problem in two and three dimensionsPhysical Review E, 1995
- Higher-order finite-difference pseudopotential method: An application to diatomic moleculesPhysical Review B, 1994
- Finite-difference-pseudopotential method: Electronic structure calculations without a basisPhysical Review Letters, 1994
- Towards Very Large-Scale Electronic-Structure CalculationsEurophysics Letters, 1992
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985