Ab initio molecular dynamics with an orbital-free density functional
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://stacks.iop.org/0953-8984/5/i=19/a=019/pdf
Reference46 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
3. Inhomogeneous Electron Gas
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