Publications [#235072] of Weitao Yang

Journal Articles
  1. Yang, W; Ayers, PW; Wu, Q, Potential functionals: dual to density functionals and solution to the v-representability problem., Physical Review Letters, vol. 92 no. 14 (April, 2004), pp. 146404 [15089563], [doi] .

    A functional of external potentials and its variational principle for the ground-state energy is constructed. This potential functional formulation is dual to the density functional approach and provides a solution to the v-representability problem in the original Hohenberg-Kohn theory. A second potential functional for Kohn-Sham noninteracting systems establishes the foundation for the optimized effective potential approach and results in efficient approaches for ensemble Kohn-Sham calculations.