the electronic structure, energy band structure and electronic density of 2 sno ceramic in cubicphase have been investigated using first principle full potential-linearized augmented plane wave (fp-lapw)method within density functional theory (dft). local density approximation (lda) and the generalizedgradient approximation (gga), which are based on exchange- correlation energy optimization wer...

A variationally optimized perturbation, combined with renormalization group properties, can give approximations to certain nonperturbative quantities like the chiral symmetry breaking order parameters. We evaluate, up to third order in this modified perturbation, F π /Λ MS , where F π is the pion decay constant and Λ MS the basic QCD scale in the MS scheme. We obtain Λ

Working with a pion mass mπ ≈ 150 MeV, we study ππ and Kπ scattering using two flavours of non-perturbatively improved Wilson fermions at a lattice spacing a ≈ 0.071 fm. Employing two lattice volumes with linear spatial extents of Ns = 48 and Ns = 64 points and moving frames, we extract the phase shifts for p-wave ππ and Kπ scattering near the ρ and K∗ resonances. Comparing our results to those...

Vibronic coupling constants of Jahn-Teller molecules, benzene radical cation and anion, are computed as matrix elements of the electronic part of the vibronic coupling operator using the electronic wave functions calculated by generalized restricted Hartree-Fock and state-averaged complete active space self-consistent-field methods. The calculated vibronic coupling constants for benzene cation ...

Vibronic coupling constants of Jahn-Teller molecules, benzene radical cation and anion, are computed as matrix elements of the electronic part of the vibronic coupling operator using the electronic wave functions calculated by generalized restricted Hartree-Fock and state-averaged complete active space self-consistent-field methods. The calculated vibronic coupling constants for benzene cation ...

We incorporate hydrodynamic interactions in a structure-based model of ubiquitin and demonstrate that the hydrodynamic coupling may reduce the peak force when stretching the protein at constant speed, especially at larger speeds. Hydrodynamic interactions are also shown to facilitate unfolding at constant force and inhibit stretching by fluid flows. (Some figures in this article are in colour o...

Recent measurements of jet cross sections in neutral-current and charged-current deep inelastic ep scattering are presented. The results of the QCD analyses on these measurements to determine the strong coupling constant are also reported.