A massively-parallel electronic-structure calculations based on real-space density functional theory
- 20 March 2010
- journal article
- Published by Elsevier BV in Journal of Computational Physics
- Vol. 229 (6), 2339-2363
- https://doi.org/10.1016/j.jcp.2009.11.038
Abstract
No abstract availableKeywords
This publication has 42 references indexed in Scilit:
- Size Limits on Doping Phosphorus into Silicon NanocrystalsNano Letters, 2007
- Parallel self-consistent-field calculations via Chebyshev-filtered subspace accelerationPhysical Review E, 2006
- Strained Si, SiGe, and Ge channels for high-mobility metal-oxide-semiconductor field-effect transistorsJournal of Applied Physics, 2004
- Quantum Monte Carlo simulations of solidsReviews of Modern Physics, 2001
- Nobel Lecture: Electronic structure of matter—wave functions and density functionalsReviews of Modern Physics, 1999
- Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradientsReviews of Modern Physics, 1992
- The density functional formalism, its applications and prospectsReviews of Modern Physics, 1989
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964
- Canonical Configurational Interaction ProcedureReviews of Modern Physics, 1960