During the past years, one of most iconic metal-organic frameworks (MOFs), MOF-5, has been characterized as a semiconductor by theory and experiments. Here we employ GW many-body perturbation in conjunction with Bethe-Salpeter equation to compute electronic structure optical properties this MOF. The calculations show that MOF-5 is wide-band-gap insulator fundamental gap ?8 eV. strong excitonic ...

We develop the general many-body perturbation theory for a superconducting quantum dot represented by single-impurity Anderson model attached to leads. build our approach on thermodynamically consistent mean-field approximation with two-particle self-consistency of parquet type. The leading screening bare interaction proves substantial suppressing spurious transitions Hartree-Fock solution. dem...

This paper presents the dynamic modeling and design of micro motion compliant parallel mechanism with flexible intermediate links and rigid moving platform. Modeling of mechanism is described with closed kinematic loops and the dynamic equations are derived using Lagrange multipliers and Kane’s methods. Euler-Bernoulli beam theory is considered for modeling the intermediate flexible link. Based...

based on the carnahan and starling hard sphere equation of compressibility, an equation of state has been derived. conditions that must be met by all equations of state are applied in order to obtain attractive term or non - ideal compressibility term of the equation. second virial coefficient and acentric factor arc used in the derivation of the equation of state. in this equation, compressibi...