Blar i Fakultet for naturvitenskap (NV) på forfatter "Fales, B Scott"
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Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction
Fales, B Scott; Seritan, Stefan; Settje, Nick F; Levine, Benjamin G; Koch, Henrik; Martinez, Todd J. (Journal article, 2018)We present the rank-reduced full configuration interaction (RR-FCI) method, a variational approach for the calculation of extremely large full configuration interaction (FCI) wave functions. In this report, we show that ...