Publications [#235084] of Weitao Yang

Journal Articles

1. Wu, Q; Ayers, PW; Yang, W, Density functional theory calculations with correct long range potentials, J. Chem. Phys., vol. 119 no. 6 (2003), pp. 2978-2990, AIP Publishing [doi]
   (last updated on 2026/01/16)

   Abstract:
   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.