Faculty Profiles

Weitao Yang
Philip Handler Professor of Chemistry
5310 French Family Science Center, Durham, NC 27708
(919) 660-1562
(919) 660-1605



Ph.D., University of North Carolina at Chapel Hill 1986

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

Li, S, Hu, L, Peng, L, Yang, W, and Gu, FL. "Coupled-Perturbed SCF Approach for Calculating Static Polarizabilities and Hyperpolarizabilities with Nonorthogonal Localized Molecular Orbitals." Journal of Chemical Theory and Computation 11.3 (March 2015): 923-931. Full Text

Li, C, Zheng, X, Cohen, AJ, Mori-Sánchez, P, and Yang, W. "Local scaling correction for reducing delocalization error in density functional approximations." Physical Review Letters 114.5 (February 4, 2015): 053001-null. Full Text

Zhang, D, Peng, D, Zhang, P, and Yang, W. "Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation." Physical chemistry chemical physics : PCCP 17.2 (January 2015): 1025-1038. Full Text

Guo, H, Xie, D, and Yang, W. "A tribute to Guosen Yan." Theoretical Chemistry Accounts 133.12 (December 2014). Full Text

Peng, D, Yang, Y, Zhang, P, and Yang, W. "Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations." The Journal of chemical physics 141.21 (December 2014): 214102-. Full Text

Scholl, ZN, Yang, W, and Marszalek, PE. "Chaperones rescue luciferase folding by separating its domains." The Journal of Biological Chemistry 289.41 (October 2014): 28607-28618. Full Text

Su, NQ, Yang, W, Mori-Sánchez, P, and Xu, X. "Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionals." The Journal of Physical Chemistry. A 118.39 (October 2014): 9201-9211. Full Text

Yang, Y, Peng, D, Lu, J, and Yang, W. "Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies." The Journal of Chemical Physics 141.12 (September 28, 2014): 124104-124104. Full Text