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

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Lee, Sebastian J. R., Miyamoto, Kaito, Ding, Feizhi, Manby, Frederick R., Miller, III, Thomas F.. 2017-09-01. Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods. https://doi.org/10.1016/j.cplett.2017.04.059

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