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Dipole polarizabilities of the transition and post-transition metallic systems

Published 20 May 2014 in physics.atom-ph and physics.chem-ph | (1405.4950v1)

Abstract: We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the electron correlation effects at different levels of approximations, we employ the relativistic many-body methods developed, based on the first principles, at mean-field Dirac-Fock (DF), third order many-body perturbation theory (MBPT(3)), random-phase approximation (RPA) and the singly and doubly approximated coupled-cluster methods at the linearized (LCCSD) and non-linearized (CCSD) levels. We observe variance in the trends of the contributions from the correlation effects in a particular group of elements through a employed many-body method; however they resemble similar tendency among the isoelectronic systems. Our CCSD results are within sub-one percent agreement with the experimental values which are further ameliorated by including the contributions from the important triple excitations (CCSD$_p$T method).

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