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 at Chapel Hill 1986

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

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. “An adapted form of the collocation method for calculating energy levels of rotating atom-diatom complexes.” The Journal of Chemical Physics, vol. 91, no. 11, Dec. 1989, pp. 6598–612.

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

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. “Ab initio approach for many-electron systems without invoking orbitals: An integral formulation of density-functional theory..” Physical Review. A, General Physics, vol. 38, no. 11, Dec. 1988, pp. 5494–503. Epmc, doi:10.1103/physreva.38.5494. Full Text

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