Linear-scaling density-functional-theory technique: The density-matrix approach
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.53.7147/fulltext
Reference48 articles.
1. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
2. Direct calculation of electron density in density-functional theory
3. Electron density as the basic variable: a divide-and-conquer approach to the ab initio computation of large molecules
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