Publications [#235117] of Weitao Yang

Journal Articles

1. Parr, RG; Yang, W, Density-functional theory of the electronic structure of molecules, Ann. Rev. Phys. Chem., vol. 46 no. 1 (1995), pp. 701-728 [doi]
   (last updated on 2026/01/16)

   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 functionals, (b) new methods for determining accurate exchange-correlation functionals, (c) linear scaling methods, and (d) developments in the description of chemical reactivity.