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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao https://doi.org/10.1...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
https://doi.org/10.1103/physre...
Article . 1995 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Density-functional calculations for cerium metal

Authors: , Söderlind; , Eriksson; , Trygg; , Johansson; , Wills;

Density-functional calculations for cerium metal

Abstract

We present calculations of the equilibrium volume and bulk modulus for \ensuremath{\alpha}-Ce. The calculations are based upon the local-spin-density approximation (LSDA) and the generalized-gradient approximation (GGA). These calculations are done with a full-potential linear-muffin-tin-orbital method. The equilibrium volume, which generally is too low in LSDA calculations, is improved considerably for \ensuremath{\alpha}-Ce by the gradient correction. The increase of the equilibrium volume, when the gradient corrections are considered, results in a decrease of the bulk modulus, which therefore also becomes in better agreement with experiment. It is shown that by neglecting the nonsphericity of the electron charge density and the potential, a fortuitous improvement of the equilibrium volume and bulk modulus of \ensuremath{\alpha}-Ce is obtained. The full-potential GGA calculations for \ensuremath{\alpha}-Ce show an accuracy relative to experiment that is comparable to what is found for corresponding calculations for a d-transition metal. The equation of state for \ensuremath{\alpha}-Ce is well reproduced by the full-potential GGA calculations in the pressure range for which there is data available (0--500 kbar).

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
23
Average
Top 10%
Top 10%
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