Publications [#235092] of Weitao Yang

Journal Articles

1. York, D; Lee, T; Yang, W, Quantum mechanical treatment of biological macro-molecules in solution using linear-scaling electronic structure methods, Phys. Rev. Lett., vol. 80 no. 22 (1998), pp. 5011-5014, American Physical Society (APS) [doi]
   (last updated on 2026/01/16)

   Abstract:
   A linear-scaling self-consistent field method for calculation of the electronic structure of biological macromolecules in solution is presented. The method is applied at the semiempirical Hartree-Fock level to the determination of heats of formation, solvation free energies, and density of electronic states for several protein and DNA systems. © 1998 The American Physical Society.