699 citations · 790 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2020★ 6 cited
Accurate Correlation Energy Functional for Uniform Electron Gas from an Interpolation Ansatz without Fitting Parameters
Qing-Xing Xie, Jiashun Wu, Yan Zhao
We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is the Seitz radius or density parameter and zeta is the re…
physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
physics.chem-ph2011★ 85 cited
CO2 dissociation activated through electron attachment on reduced rutile TiO2(110)-1x1 surface
Shijing Tan, Yan Zhao, Jin Zhao +7
Converting CO to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant…