Faculty Profiles

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

Overview

Education:

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

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

Zhu, T., et al. “Examination of several exchange-correlation energy functionals by accurate self-consistent atomic calculations.” The Journal of Chemical Physics, vol. 98, no. 6, Jan. 1993, pp. 4814–21. Scopus, doi:10.1063/1.464985. Full Text

Bemish, R. J., et al. “The Ar-C2H2 intermolecular potential from high resolution spectroscopy and ab initio theory: A case for multicenter interactions.” The Journal of Chemical Physics, vol. 99, no. 11, Jan. 1993, pp. 8585–98. Scopus, doi:10.1063/1.465582. Full Text

Bemish, R. J., et al. “The Ar-C2H2 intermolecular potential from high resolution spectroscopy and ab initio theory: A case for multicenter interactions.” The Journal of Chemical Physics, vol. 99, no. 11, 1993, pp. 8585–98.

Crawford, T. D., and W. Yang. “The Hartley basis functions and transform: alternatives to plane waves and the Fourier transform.” Chemical Physics Letters, vol. 192, no. 1, Apr. 1992, pp. 45–48. Scopus, doi:10.1016/0009-2614(92)85425-A. 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

Lee, C., and W. Yang. “The divide‐and‐conquer density‐functional approach: Molecular internal rotation and density of states.” Journal of Chemical Physics, vol. 96, no. 3, Feb. 1992, pp. 2408–11. Scopus, doi:10.1063/1.462039. Full Text

Yang, W. “Direct calculation of electron density in density-functional theory: Implementation for benzene and a tetrapeptide..” Physical Review. A, Atomic, Molecular, and Optical Physics, vol. 44, no. 11, Dec. 1991, pp. 7823–26. Epmc, doi:10.1103/physreva.44.7823. Full Text

Yang, W. “A local projection method for the linear combination of atomic orbital implementation of density-functional theory.” The Journal of Chemical Physics, vol. 94, no. 2, Jan. 1991, pp. 1208–14. Scopus, doi:10.1063/1.460028. Full Text

Pages