Faculty Profiles

Weitao Yang
Philip Handler Distinguished 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 - Chapel Hill 1986

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

York, D., and W. Yang. “The fast Fourier Poisson method for calculating Ewald sums.” The Journal of Chemical Physics, vol. 101, no. 4, Jan. 1994, pp. 3298–300. Scopus, doi:10.1063/1.467576. Full Text

Zhu, T., and W. Yang. “Structure of the ammonia dimer studied by density functional theory.” International Journal of Quantum Chemistry, vol. 49, no. 5, Jan. 1994, pp. 613–23. Scopus, doi:10.1002/qua.560490507. Full Text

Lee, C., et al. “Nonlocal density functional calculations: Comparison of two implementation schemes.” Journal of Chemical Physics, vol. 98, no. 4, Jan. 1993, pp. 2971–74. Scopus, doi:10.1063/1.464125. Full Text

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

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