We have developed relativistic coupled-cluster (RCC) theory to study elastic scattering of electrons from free and confined Ca atoms. For this purpose, we first investigated electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C60 cluster and obtained electron correlation energy, ionization potential and dipole polarizability of this atom. Our results are compared with the reported calculations employing multi-configuration Hartree–Fock (MCHF) method. We found that trends in correlation energy with respect to the potential depth are the same, but magnitudes are very large in the relativistic calculations. Finally, using the obtained charge density and phase shift analysis technique we determined the differential and total cross-sections for elastic scattering of electrons from free and confined Ca atoms and demonstrated the role of potential depth in these properties.
A relativistic coupled-cluster (RCC) theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the 3s 2 S 1/2 − 3p 2 P 1/2;3/2 resonance transitions are investigated in the singly charged magnesium (Mg + ) ion using this theory. Accuracies of wave functions of Mg + are justified by evaluating its attachment energies of the relevant states and compared with the experimental values. The continuum wave function of the projectile electron are obtained by solving Dirac equations assuming distortion potential as static potential of the ground state of Mg + . Comparison of the calculated electron impact excitation differential and total cross-sections with the available measurements are found to be in very good agreements at various incident electron energies. Further, calculations are carried out in the plasma environment in the Debye Hückel model framework, which could be useful in the astrophysics. Influence of plasma strength on the cross-sections as well as linear polarization of the photon emission in the 3p 2 P 3/2 − 3s 2 S 1/2 transition is investigated for different incident electron energies.
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