Publications [#235092] of Weitao Yang

Journal Articles
  1. York, DM; Lee, T-S; Yang, W, Quantum mechanical treatment of biological macromolecules in solution using linear-scaling electronic structure methods, Physical Review Letters, vol. 80 no. 22 (1998), pp. 5011-5014 .

    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.