First principles calculations using density matrix divide-and-conquer within the SIESTA methodology
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://stacks.iop.org/0953-8984/20/i=29/a=294208/pdf
Reference40 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
3. Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies
4. Wavelets in electronic structure calculations
5. Higher-order finite-difference pseudopotential method: An application to diatomic molecules
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