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

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

Yang, W. “Direct calculation of electron density in density-functional theory.” Physical Review Letters, vol. 66, no. 11, Jan. 1991, pp. 1438–41. Scopus, doi:10.1103/PhysRevLett.66.1438. Full Text

Morrison, R. C., et al. “Approximate density matrices and wigner distribution functions from density, kinetic energy density, and idempotency constraints.” International Journal of Quantum Chemistry, vol. 38, no. 6, Jan. 1990, pp. 819–30. Scopus, doi:10.1002/qua.560380605. Full Text

Yang, W., and A. C. Peet. “A method for calculating vibrational bound states: Iterative solution of the collocation equations constructed from localized basis sets.” The Journal of Chemical Physics, vol. 92, no. 1, Jan. 1990, pp. 522–26. Scopus, doi:10.1063/1.458454. Full Text

Yang, W. “Integral Formulation of Density-Functional Theory.” Advances in Quantum Chemistry, vol. 21, no. C, Jan. 1990, pp. 293–302. Scopus, doi:10.1016/S0065-3276(08)60601-2. Full Text

Peet, A. C., and W. Yang. “The collocation method for calculating vibrational bound states of molecular systems - with application to Ar-HCl.” The Journal of Chemical Physics, vol. 90, no. 3, Jan. 1989, pp. 1746–51. Scopus, doi:10.1063/1.456068. Full Text

Yang, W., and W. H. Miller. “Block Lanczos approach combined with matrix continued fraction for the S-matrix Kohn variational principle in quantum scattering.” The Journal of Chemical Physics, vol. 91, no. 6, Jan. 1989, pp. 3504–08. Scopus, doi:10.1063/1.456880. Full Text

Yang, W., et al. “A collocation approach for quantum scattering based on the S-matrix version of the Kohn variational principle.” The Journal of Chemical Physics, vol. 91, no. 12, Jan. 1989, pp. 7537–42. Scopus, doi:10.1063/1.457277. Full Text

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