Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms
Author(s): Chen, Mohan; Jiang, Xiang-Wei; Zhuang, Houlong; Wang, Lin-Wang; Carter, Emily A
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http://arks.princeton.edu/ark:/88435/pr1k381| Publication Date: | 14-Jun-2016 |
| Citation: | Chen, Mohan, Jiang, Xiang-Wei, Zhuang, Houlong, Wang, Lin-Wang, Carter, Emily A. (2016). Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms. Journal of Chemical Theory and Computation, 12 (6), 2950 - 2963. doi:10.1021/acs.jctc.6b00326 |
| DOI: | doi:10.1021/acs.jctc.6b00326 |
| ISSN: | 1549-9618 |
| EISSN: | 1549-9626 |
| Pages: | 2950 - 2963 |
| Type of Material: | Journal Article |
| Journal/Proceeding Title: | Journal of Chemical Theory and Computation |
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