We apply the optimized effective potential method (OPM) to the multiplet energies of the 3d n transition metal atoms, where the orbital dependence of the energy functional with respect to orbital wave function is the single-configuration HF form. We find that the calculated OPM exchange potential can be represented by the following two forms. Firstly, the difference between OPM exchange potenti...

Data Farming is a process that has been developed to support decision-makers by answering questions that are not currently addressed. Data farming uses an inter-disciplinary approach that includes modeling and simulation, high performance computing, and statistical analysis to examine questions of interest with a large number of alternatives. Data farming allows for the examination of uncertain...

The nuclear quadrupole coupling constant was calculated as a function of inter nuclear distance for nine quadrupolar nuclei in eight diatomic molecules by the STO 321G method. From the value of the field-gradient and its first and second derivatives the vibrational dependence of the coupling constants were calculated and shown to compare satisfactorily with experiment. The behaviour of the fiel...

The exp((−φ(ξ))-expansion method is used as the first time to investigate the wave solution of a nonlinear the space-time nonlinear fractional PKP equation, the space-time nonlinear fractional SRLW equation, the space-time nonlinear fractional STO equation and the space-time nonlinear fractional KPP equation. The proposed method also can be used for many other nonlinear evolution equations.

This paper presents a feasibility study of a merge between SprogTeknologisk Ordbase (STO), which contains morphological and syntactic information, and DanNet, which is a Danish WordNet containing semantic information in terms of synonym sets and semantic relations. The aim of the merge is to develop a richer, composite resource which we believe will have a broader usage perspective than the two...

This study examines the ways in which middle school students approach problems which require scientific reasoning about seasonal change. Pre/post instructional assessments with students from five classrooms (N=38) showed significant improvement in understanding of the seasons though less than a third could be classified as having the scientific mental model. Students’ limited use of observable ...

We apply the Cole–Hopf transformation to linearize the forced Sharma– Tasso–Olver (STO) equation in order to obtain some its exact solutions. Many kinds of solutions are formally derived for the unforced version. Mathematics Subject Classification: 35C05

Particularly in Sr2IrO4, the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion stabilizes a J(eff) = 1/2 spin-orbital entangled insulating state at low temperatures. Whether this insulating phase is Mott- or Slater-type, has been under intense debate. We address this issue via spatially resolved imaging and spectroscopic studies of the Sr2IrO4 surface using scanning...

With the help of the boost operator we can model the interaction between a weakly interacting particle(WIMP) of dark matter(DAMA) and an atomic nuclei. Via this “kick” we calculate the total electronic excitation cross section of the helium atom. The bound spectrum of He is calculated through a diagonalization process with a configuration interaction (CI) wavefunction built up from Slater orbit...