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Physical Review Letters|August 7, 2007
Optimized effective potentials in finite basis setsTim Heaton-Burgess, Felipe A Bulat, Weitao Yang
Nano Letters|September 23, 2008
Quantum-interference-controlled molecular electronicsSan-Huang Ke, Weitao Yang, Harold U Baranger
Proceedings of the National Academy of Sciences of the United States of America|August 27, 2009
Coarse-grained modeling of allosteric regulation in protein receptorsIlya A Balabin, Weitao Yang, David N Beratan
The Journal of Chemical Physics|December 3, 2008
Fractional spins and static correlation error in density functional theoryAron J Cohen, Paula Mori-Sánchez, Weitao Yang
The Journal of Chemical Physics|June 8, 2007
Role of the exchange-correlation potential in ab initio electron transport calculationsSan-Huang Ke, Harold U Baranger, Weitao Yang
The Journal of Chemical Physics|December 8, 2014
Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculationsDegao Peng, Yang Yang, Peng Zhang, et al.
The Journal of Chemical Physics|April 24, 2015
Orbital relaxation effects on Kohn-Sham frontier orbital energies in density functional theoryDaDi Zhang, Xiao Zheng, Chen Li, et al.
The Journal of Chemical Physics|May 7, 2022
Reformulation of thermally assisted-occupation density functional theory in the Kohn-Sham frameworkShu-Hao Yeh, Weitao Yang, Chao-Ping Hsu
The Journal of Chemical Physics|June 7, 2012
Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theoryWeitao Yang, Aron J Cohen, Paula Mori-Sánchez
The Journal of Chemical Physics|March 4, 2005
Contact atomic structure and electron transport through moleculesSan-Huang Ke, Harold U Baranger, Weitao Yang
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