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Chemical Physics Letters 2017 / 4

Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Lee, Sebastian J.R., Miyamoto, Kaito, Ding, Feizhi, Manby, Frederick R., Miller, Thomas F.
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Language:
english
Journal:
Chemical Physics Letters
DOI:
10.1016/j.cplett.2017.04.059
Date:
April, 2017
File:
PDF, 1.03 MB
english, 2017
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