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

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

Yang, W. “Thermal properties of many-electron systems: An integral formulation of density-functional theory.” Physical Review A, vol. 38, no. 11, Jan. 1988, pp. 5504–11. Scopus, doi:10.1103/PhysRevA.38.5504. Full Text

Yang, W. “Dynamic linear response of many-electron systems: An integral formulation of density-functional theory.” Physical Review A, vol. 38, no. 11, Jan. 1988, pp. 5512–19. Scopus, doi:10.1103/PhysRevA.38.5512. Full Text

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

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

Xue, Wenhui, and Weitao Yang. “Application of a scaled particle theory to polar solute system and calculation of the salt effect constant.” Acta Physica Chimica Sinica, vol. 3, 1987.

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. “Gradient correction in Thomas-Fermi theory.” Physical Review A, vol. 34, no. 6, Jan. 1986, pp. 4575–85. Scopus, doi:10.1103/PhysRevA.34.4575. Full Text

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