Publications [#235117] of Weitao Yang

Journal Articles
  1. Parr, RG; Yang, W, Density-functional theory of the electronic structure of molecules, Annual Review of Physical Chemistry, vol. 46 no. 1 (1995), pp. 701-728 .

    Abstract:
    Recent fundamental advances in the density-functional theory of electronic structure are summarized. Emphasis is given to four aspects of the subject: (a) tests of functional, (b) new methods for determining accurate exchange-correlation functional, (c) linear scaling methods, and (d) developments in the description of chemical reactivity.