Publications [#235084] of Weitao Yang

Journal Articles
  1. Wu, Q; Ayers, PW; Yang, W, Density-functional theory calculations with correct long-range potentials, Journal of Chemical Physics, vol. 119 no. 6 (2003), pp. 2978-2990 [doi] .

    A different technique for constructing asymptotically correct potentials was explored. This technique was first developed to determine the optimized effective potential in density-functional theory and produced excellent results. This paper uses a fixed referenced potential, namely the Fermi-Amaldi term, to account for the long-range behavior, and a linear combination of basis functions whose coefficients are determined through energy optimization.