Faculty Profiles

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



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

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

Lee, C., et al. “Local softness and chemical reactivity in the molecules CO, SCN- and H2CO.” Journal of Molecular Structure: Theochem, vol. 163, no. C, Jan. 1988, pp. 305–13. Scopus, doi:10.1016/0166-1280(88)80397-X. Full Text

Lee, C., et al. “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.Physical Review. B, Condensed Matter, vol. 37, no. 2, Jan. 1988, pp. 785–89. Epmc, doi:10.1103/physrevb.37.785. Full Text

Yang, W., et al. “New relation between hardness and compressibility of minerals.” Physics and Chemistry of Minerals, vol. 15, no. 2, Dec. 1987, pp. 191–95. Scopus, doi:10.1007/BF00308783. Full Text

Yang, W. “Ab initio approach for many-electron systems without invoking orbitals: An integral formulation of density-functional theory.” Physical Review Letters, vol. 59, no. 14, Jan. 1987, pp. 1569–72. Scopus, doi:10.1103/PhysRevLett.59.1569. Full Text

Wenhui, Xie, and Yang Weitao. “APPLICATION OF A SCALED PARTICLE THEORY TO POLAR SOLUTE SYSTEM AND CALCULATION OF THE SALT EFFECT CONSTANT.” Acta Physico Chimica Sinica, vol. 3, no. 03, Acta Physico-Chimica Sinica & University Chemistry Editorial Office, Peking University, 1987, pp. 258–64. Crossref, doi:10.3866/pku.whxb19870308. Full Text

Yang, W. “Gradient correction in Thomas-Fermi theory.Physical Review. A, General Physics, vol. 34, no. 6, Dec. 1986, pp. 4575–85. Epmc, doi:10.1103/physreva.34.4575. Full Text

Yang, W., et al. “Various functionals for the kinetic energy density of an atom or molecule.Physical Review. A, General Physics, vol. 34, no. 6, Dec. 1986, pp. 4586–90. Epmc, doi:10.1103/physreva.34.4586. Full Text

Yang, W., and W. J. Mortier. “The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines.Journal of the American Chemical Society, vol. 108, no. 19, Sept. 1986, pp. 5708–11. Epmc, doi:10.1021/ja00279a008. Full Text

Yang, W., and J. E. Harriman. “Analysis of the kinetic energy functional in density functional theory.” The Journal of Chemical Physics, vol. 84, no. 6, Jan. 1986, pp. 3320–23. Scopus, doi:10.1063/1.450265. Full Text

Yang, W., and R. G. Parr. “Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.Proceedings of the National Academy of Sciences of the United States of America, vol. 82, no. 20, Oct. 1985, pp. 6723–26. Epmc, doi:10.1073/pnas.82.20.6723. Full Text