19 citations · 19 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2020
Self-consistent calculation of localized orbital scaling correction for correct electron densities and energy level alignment in density functional theory
Yuncai Mei, Zehua Chen, Weitao Yang
The recently developed localized orbital scaling correction (LOSC) method shows the ability to systematically and size-consistently reduce the delocalization error existing in conv…
physics.chem-ph2019★ 19 cited
Charge Transfer Excitation Energies From Ground State Density Functional Theory Calculations
Yuncai Mei, Weitao Yang
Calculating charge transfer (CT) excitation energies with high accuracy and low computational cost is a challenging task. Kohn-Sham density functional theory (KS-DFT), due to its e…
physics.chem-ph2018
Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations
Yuncai Mei, Chen Li, Neil Qiang Su +1
Quasiparticle energies and fundamental band gaps in particular are critical properties of molecules and materials. It was rigorously established that the generalized Kohn-Sham HOMO…