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20202025
most citedDensity Functional Theory Transformed into a One-electron Reduced Density Matrix Functional Theory for the Capture of Static Correlation

32 citations · 76 across the 5 of their papers we have counts for

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physics.chem-ph2020★ 20 cited

Towards a Resolution of the Static Correlation Problem in Density Functional Theory from Semidefinite Programming

Danny Gibney, Jan-Niklas Boyn, David A. Mazziotti

Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in th…