Publications [#235139] of Weitao Yang

Journal Articles

1. Yang, W, Thermal properties of many-electron systems: An integral formulation of density-functional theory., Physical review. A, General physics, vol. 38 no. 11 (December, 1988), pp. 5504-5511, American Physical Society (APS), ISSN 1050-2947 [doi]
   (last updated on 2026/01/17)

   Abstract:
   A new approach for the calculation of thermal properties of many-electron systems is proposed via an integral formulation of the Mermin-Kohn-Sham finite-temperature density-functional theory. The electron density of a thermal-equilibrium state can be determined by solving self-consistently equations for the electron density without using orbitals. Exchange and correlation effects are incorporated. In place of the set of the single-electron equations, the total electron density is explicitly expressed in terms of the Kohn-Sham effective local potential through multidimensional integrations. The development is based on the first-order density matrix as obtained from the one-body Greens function in polygonal and Fourier path-integral representations. The formulation can also be applied to general fermions. © 1988 The American Physical Society.