most citedDevelopment of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities

142 citations · 142 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2017★ 142 cited

Development of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities

Yang Yang, Kurt R. Brorsen, Tanner Culpitt +2

Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-…