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

标题
Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 6, Pages 2950-2963
出版商
American Chemical Society (ACS)
发表日期
2016-05-05
DOI
10.1021/acs.jctc.6b00326

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