Measuring density-driven errors using Kohn-Sham inversion

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Journal of Chemical Theory and Computation 2020 / 07

Measuring density-driven errors using Kohn-Sham inversion

Nam, Seungsoo, Song, Suhwan, Sim, Eunji, Burke, Kieron
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00391
Date:
July, 2020
File:
PDF, 744 KB
2020
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