Linear scaling first-principles molecular dynamics with controlled accuracy
Author:
Publisher
Elsevier BV
Subject
General Physics and Astronomy,Hardware and Architecture
Reference30 articles.
1. Linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations;Galli;Curr. Opin. Solid State Mater. Sci.,1996
2. Linear scaling electronic structure methods;Goedecker;Rev. Mod. Phys.,1999
3. Linear-scaling density-functional-theory technique: The density-matrix approach;Hernandez;Phys. Rev. B,1996
4. Fully-selfconsistent electronic-structure calculation using nonorthogonal localized orbitals within a finite-difference real-space scheme and ultrasoft pseudopotential;Hoshi;J. Phys. Soc. Jpn.,1997
5. Towards grid-based O(N) density-functional theory methods: optimized non-orthogonal orbitals and multigrid acceleration;Fattebert;Phys. Rev. B,2000
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