Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms

Published 2016 View Full Article

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Title
Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 6, Pages 2950-2963
Publisher
American Chemical Society (ACS)
Online
2016-05-05
DOI
10.1021/acs.jctc.6b00326

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