Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance
2020 ◽
Vol 16
(6)
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pp. 3757-3785
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2017 ◽
Vol 13
(6)
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pp. 2650-2666
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2008 ◽
Vol 4
(7)
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pp. 1032-1039
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2015 ◽
Vol 3
(43)
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pp. 11349-11356
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2021 ◽
pp. 114872
2002 ◽
Vol 124
(37)
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pp. 11122-11130
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2019 ◽