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

Yang, W., et al. “Electron density, Kohn-Sham frontier orbitals, and Fukui functions.” The Journal of Chemical Physics, vol. 81, no. 6, Jan. 1984, pp. 2862–63. Scopus, doi:10.1063/1.447964. Full Text

Liu, S., et al. “Nonorthogonal localized molecular orbitals in electronic structure theory.” Journal of Chemical Physics, vol. 112, no. 4, Jan. 2000, pp. 1634–44. Scopus, doi:10.1063/1.480730. Full Text

Yang, W., and A. C. Peet. “The collocation method for bound solutions of the Schrödinger equation.” Chemical Physics Letters, vol. 153, no. 1, Dec. 1988, pp. 98–104. Scopus, doi:10.1016/0009-2614(88)80139-8. Full Text

Yang, W. “Electron density as the basic variable: a divide-and-conquer approach to the ab initio computation of large molecules.” Journal of Molecular Structure: Theochem, vol. 255, no. C, Mar. 1992, pp. 461–79. Scopus, doi:10.1016/0166-1280(92)85024-F. Full Text

Lewis, J. P., et al. “Active species for the ground-state complex of cytidine deaminase: A linear-scaling quantum mechanical investigation.” Journal of the American Chemical Society, vol. 120, no. 22, June 1998, pp. 5407–10. Scopus, doi:10.1021/ja973522w. Full Text