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In this work, we study the cavity size effect on the eigen-energies of one-dimensional Schroedinger equation for certain diatomic molecules governed by Morse potential interaction confined in the cavity. To avoid the dissociation of the molecule, we have realised the confinement by introducing two barriers on both sides of the minimum of the potential: the first, at the left, is fixed at $ x_{L}=-ln2/\alpha $ x L = − l n 2 / α and the second at the right i.e. $ x_{R}=\lambda _{i}=-ln2/\alpha +\gamma _{i}r_{e} $ x R = λ i = − l n 2 / α + γ i r e where $ \gamma _{i} $ γ i is a parameter that allows us to vary the size of the cavity. It turns out that the confinement gives rise to additional energy levels and that the number of these levels increases with the size of the cavity (i.e. by increasing $ \gamma _{i} $ γ i or by decreasing the confinement). We used Green's function approach and reported our results on $ {\rm H}_{2},{\rm HCl} $ H 2 , HCl and $ {\rm LiH} $ LiH molecules. [ABSTRACT FROM AUTHOR]

Metastable Fe-Cu alloys are of considerable scientific interest, and an efficient interatomic potential is crucial for reliable atomistic simulations. Interatomic potentials developed for pure Fe and pure Cu are difficult to mix for the Fe-Cu alloys since the analytic function form of pure Fe is not of the same type of pure Cu potential. Additionally, elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimised separately. In this article, we present compatible analytic function forms that work for pure species and are easily mixed with two adjustable parameters for their alloys. We tested the proposed potentials to make sure that the performance is adequate for pure species as well as their alloys. The predicted values were in good agreement with experimental results. [ABSTRACT FROM AUTHOR]

On the light of a previous work and its recommendations by Matobaet al.[J. Phys. B41, 145205 (2008)], this paper proposes to look at the mobility of ground and metastable-excited states of C+ions moving into a helium buffer gas. The calculations, based on the three-temperature theory for solving the Boltzmann kinetic equation, are accomplished with quantum-mechanical transport cross sections at the low temperatures 4.3 and 77 K. The obtained mobility results are contrasted with the available theoretical data and experimental measurements, which show acceptable agreements. [ABSTRACT FROM PUBLISHER]

We are reporting the scaling behaviour of the bound state energies associated with the Hellmann potential, with different strength parameters, using the Laguerre basis. We show the existence of a crossover phenomenon for the energy spectrum; the scaling laws for bound states as we approach the continuum are calculated. Close to the bound–resonance phase transition region, state energies and wavefunctions for the Hellmann potential, with different strength parameters, have been studied. [ABSTRACT FROM AUTHOR]

Close to the bound-resonance crossover region, state energies for the Manning–Rosen (MR) potential have been calculated. New data, for both bound and resonance state energies have been reported nearby the crossover region, using the J-matrix approach, for LiH and CO molecules. Furthermore, the average oscillator strength, multipole moments and transition probabilities for certain states have been reported for future comparison. [ABSTRACT FROM AUTHOR]