activity
20142023
most citedDevelopment of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities

142 citations · 319 across the 16 of their papers we have counts for

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Showing 2022 · physics.comp-phShow all

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physics.comp-ph2022★ 17 cited

Nuclear-Electronic Orbital Approach to Quantization of Protons in Periodic Electronic Structure Calculations

Jianhang Xu, Ruiyi Zhou, Zhen Tao +4

The nuclear-electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born-Oppenheimer approxima…