Xiao Zheng

发表

Local scaling correction for reducing delocalization error in density functional approximations.

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2015, Physical review letters.

Single-molecule conductance of pyridine-terminated dithienylethene switch molecules.

D. Ralph, G. Chan, H. Abruña, 2011, ACS nano.

Density Functional Prediction of Quasiparticle, Excitation, and Resonance Energies of Molecules With a Global Scaling Correction Approach

Weitao Yang, Xiao Zheng, Xiaolong Yang, 2020, Frontiers in Chemistry.

Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies

Weitao Yang, Dadi Zhang, Xiao Zheng, 2018 .

Conductive junctions with parallel graphene sheets.

Weitao Yang, S. Ke, Xiao Zheng, 2010, The Journal of chemical physics.

Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations

Weitao Yang, N. Su, Chen Li, 2017, 1707.00856.

Scaling correction approaches for reducing delocalization error in density functional approximations

Weitao Yang, Dadi Zhang, Chen Li, 2015, Science China Chemistry.

Delocalization error of density-functional approximations: a distinct manifestation in hydrogen molecular chains.

Weitao Yang, M. Liu, J. Contreras‐García, 2012, The Journal of chemical physics.

Time-dependent density-functional theory for open electronic systems

Rulin Wang, Xiao Zheng, 2013, Science China Chemistry.

Improving band gap prediction in density functional theory from molecules to solids.

Xiangqian Hu, Weitao Yang, Xiao Zheng, 2011, Physical review letters.

A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchange.

Weitao Yang, Ting Zhou, Xiao Zheng, 2013, The Journal of chemical physics.