Local Density Calculated Parameters for the Anderson Hamiltonian
Local density functional theory has recently been used to provide first principles calculation of parameters entering the impurity Anderson Hamiltonian, with promising results. Examples are presented here for the case of the rare earth dioxides CeO2 and PrO2.
KeywordsCoulomb Interaction Lawrence Livermore National Laboratory Hybridization Versus Matrix Element Versus Inverse Photoemission
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