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Bulletin of the American Physical Society

Spatial entanglement in two-electron atomic systems

Y. K. Ho, Yiheng Lin

Published Feb 28, 2012• 0 citations
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Recently, there has been considerable interest in investigating quantum entanglement in two-electron systems, such as two-electron model atoms and quantum dots. In this work, the quantum entanglement of the helium atom and helium-like ions are explored using the two-electron wave functions constructed by the BBB-spline basis. As a measure of the spatial entanglement, the linear entropy of the reduced density matrix is investigated for the ground state and the singlet excited 1sns1S1sn{s}^{1}S1sns1S states, with n=2n=2n=2--10, of the helium atom. The variation of the spatial entanglement with the nuclear charges Z=2Z=2Z=2--15 for the helium-like ions is reported. Results are compared with the existing predictions.
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We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial entanglement can be exactly calculated. We analyze how the strength of the confining potential affects the spatial entanglement and how accurately the methods that we introduced reproduce the exact trends. We also compare the results to the outcomes of standard first-order perturbation methods. The accuracies of energies and densities when using these methods are also considered.