An attempt on the calculation of relativistic potential energy curves: Noble gas difluorides

Total energy SCF calculations were performed for noble gas difluorides in a relativistic procedure and compared with analogous non-relativistic calculations. The discrete variational method with numerical basis functions was used. Rather smooth potential energy curves could be obtained. The theoretical Kr-F and Xe-F bond distances were calculated to be 3.5 a.u. and 3.6 a.u. which should be compared with the experimental values of 3.54 a.u. and 3.7 a.u. Although the dissociation energies are off by a factor of about five it was found that ArF₂ may be a stable molecule. Theoretical ionization energies for the outer levels reproduce the experimental values for KrF₂ and XeF₂ to within 2 eV.     

The influence of hyperpolarisability and field-gradient polarisability on field adsorption binding energies for He on W(111)

The effects of imaging-gas hyperpolarisability and field-gradient polarisabuity terms on field-adsorption binding energies have been explored. At best image fields for the noble imaging gases and molecular hydrogen, the correction to long-range binding energy is at most a few percent and may be neglected. At the tungsten evaporation field the correction is significant in the cases of Ar, Kr, H₂, and especially Xe. The system He on W(111) has been used as a paradigm in the investigation of short-range binding energy. The largest correction here is due to one of the field-gradient polarisabuity terms. In the field range of most relevance to the field-ion techniques the total correction is about 15–20%, and should not be neglected in detailed treatments.     

Effects of oxidation and cluster distribution on thermal and magnetotransport properties of mechanically alloyed Co–Cu powders

Thermal and magnetotransport properties of mechanically alloyed Co₃₀Cu₇₀ powders of three different milling times are studied. Both milling and annealing bring about oxidation of the samples. The powders show exothermic behaviors corresponding to the lattice-recovery process. Different milling times and annealing temperatures give rise to different exothermic peaks because of oxidation and the cluster distribution. At room temperature, the compressed powders show, on average, up to 11% giant magnetoresistance (GMR) under 10 kOe with sharp switching. The results may be understood in terms of spin-dependent scattering across Co/oxide/Cu interfaces. Annealing reduces the resistance but does not promote the GMR. By annealing at 400 °C, the GMR is entirely suppressed as the magnetic content is largely replaced by oxides. PACS 72.15.Eb; 75.47.De; 75.47.Np     

Weighted Monte Carlo Methods for Approximate Solution of a Nonlinear Boltzmann Equation

We construct weighted modifications of statistical modeling of an ensemble of interacting particles which is connected with approximate solution of a nonlinear Boltzmann equation.