Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd
arXiv:cond-mat/0504380 · doi:10.1103/PhysRevB.72.115125
Abstract
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.
15 pages, 9 figures