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The Journal of Chemical Physics|June 24, 2024
Perdew Festschrift editorialKieron Burke, Jianwei Sun, Weitao Yang
The Journal of Chemical Physics|June 10, 2017
On extending Kohn-Sham density functionals to systems with fractional number of electronsChen Li, Jianfeng Lu, Weitao Yang
The Journal of Physical Chemistry Letters|November 20, 2020
Self-Consistent Calculation of the Localized Orbital Scaling Correction for Correct Electron Densities and Energy-Level Alignments in Density Functional TheoryYuncai Mei, Zehua Chen, Weitao Yang
The Journal of Physical Chemistry Letters|January 20, 2022
Multireference Density Functional Theory for Describing Ground and Excited States with Renormalized SinglesJiachen Li, Zehua Chen, Weitao Yang
Journal of Chemical Theory and Computation|October 24, 2022
Combining Renormalized Singles GW Methods with the Bethe-Salpeter Equation for Accurate Neutral Excitation EnergiesJiachen Li, Dorothea Golze, Weitao Yang
Journal of Chemical Theory and Computation|December 3, 2015
Fitting Molecular Electrostatic Potentials from Quantum Mechanical CalculationsHao Hu, Zhenyu Lu, Weitao Yang
The Journal of Chemical Physics|November 4, 2017
Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulationsJingheng Wu, Lin Shen, Weitao Yang
The Journal of Chemical Physics|April 8, 2006
Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: proton transfer in triosephosphate isomeraseMingliang Wang, Zhenyu Lu, Weitao Yang
The Journal of Chemical Physics|May 10, 2013
A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchangeXiao Zheng, Ting Zhou, Weitao Yang
The Journal of Physical Chemistry Letters|May 17, 2013
λ-Meta Dynamics Approach To Compute Absolute Solvation Free EnergyPan Wu, Xiangqian Hu, Weitao Yang
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