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https://doi.org/10.1103/physre...
Article . 1997 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Anomalous atomic volume of α-Pu

Authors: J. Kollár; L. Vitos; H. L. Skriver;

Anomalous atomic volume of α-Pu

Abstract

We have performed full charge-density calculations for the equilibrium atomic volumes of the {alpha}-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.3{percent}. The comparison between the LDA and GGA results show that the anomalously large atomic volume of {alpha}-Pu relative to {alpha}-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization. This effect is correctly described in the GGA but not in the LDA. {copyright} {ital 1997} {ital The American Physical Society}

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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!
38
Average
Top 10%
Top 10%
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