Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/RevModPhys.64.1045/fulltext
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1. Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application toSiO2
2. Pseudopotentials that work: From H to Pu
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