Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

A. K. McMahan

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classification ❄️ cond-mat.str-el

keywords calculationscompresseddmftdynamicalfieldlocal-densitymeantheory

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This paper reports calculations for compressed Ce (4f^1), Pr (4f^2), and Nd (4f^3) 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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Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

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