New two-body entanglement measures including up-down mutual information and negativities are applied to the water molecule in FCI to quantify deviations from Slater determinants and analyze dissociation.
In addition,ρ sep in (40) is clearly a convex mixture of SDs with definite number of up and down electrons, Eq
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Fermionic entanglement and quantum correlation measures in molecules
New two-body entanglement measures including up-down mutual information and negativities are applied to the water molecule in FCI to quantify deviations from Slater determinants and analyze dissociation.