Diagrammatic self-consistent theory of anderson localization for the tight-binding model

Self-consistent Theory of Anderson Localization

Self consistent tight binding model for dissociable water.

We report results of development of a self consistent tight binding model for water. The model explicitly describes the electrons of the liquid self consistently, allows dissociation of the water and permits fast direct dynamics molecular dynamics calculations of the fluid properties. It is parameterized by fitting to first principles calculations on water monomers, dimers, and trimers. We repo...

Self-consistent tight binding model adapted for hydrocarbon systems

A self-consistent environment-dependent tight binding method is presented that was developed to simulate eigenvalue spectra, electron densities and Coulomb potential distributions for hydrocarbon systems. The method builds on a non-selfconsistent environment-dependent tight binding model for carbon [Tang et al., Phys. Rev. B 53, 979 (1996)] with parameters added to describe hydrocarbon bonds an...

the use of appropriate madm model for ranking the vendors of mci equipments using fuzzy approach

abstract nowadays, the science of decision making has been paid to more attention due to the complexity of the problems of suppliers selection. as known, one of the efficient tools in economic and human resources development is the extension of communication networks in developing countries. so, the proper selection of suppliers of tc equipments is of concern very much. in this study, a ...

Self-consistent tight-binding molecular-dynamics method for cluster studies

The Hubbard-type tight-binding ~TB! Hamiltonian is generalized to incorporate effects of charge transfer efficiently into the TB ~Slater-Koster-type! parameters. The generalization is such that charge transfer as well as Madelung-type interactions are included in a self-consistent manner. In particular, the intrasite Coulomb interactions of our Hubbard Hamiltonian are calculated from the chemic...