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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-ph2022★ 24 cited

Comparison of Density-Matrix Corrections to Density Functional Theory

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

Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To ad…

physics.chem-ph2022★ 32 cited

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

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

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated syst…