Relativistic effects in the variable-screening model |
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Authors: | P. Kaufmann and U. Wille |
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Affiliation: | (1) Max-Planck-Institut f?r Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg, Germany |
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Abstract: | The variable-screening model devised for a quantitative treatment of screening effects in slow (quasimolecular) ion-atom collisions is extended to include relativistic effects. Relativistic correction terms corresponding to a relative energy correction of second order in the electron velocity are incorporated into the effective molecular single-electron Hamiltonian. The model is applied to the calculation of relativistic molecular-orbital correlation diagrams for the quasimolecular systems Br+Br, Xe+Xe, and I+Au. A detailed comparison of our results with the results of relativistic calculations for (unscreened) one-electron systems and calculations based on self-consistent field methods is performed. The agreement with Dirac-Fock-Slater results is fairly good, and could be improved further by read-justing the values of the parameters in the atomic potentials used to construct the effective molecular potential. |
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