Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd
Abstract
This paper reports calculations for compressed Ce (4f1), Pr (4f2), and Nd (4f3) using a combination of the local-density approximation (LDA) and dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and the total energy among other properties are examined as functions of volume and atomic number for an assumed face-centered cubic (fcc) structure.
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