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Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
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1998 (English)In: PHYSICAL REVIEW B-CONDENSED MATTER, ISSN 0163-1829, Vol. 58, no 8, 4345-4351 p.Article in journal (Other scientific) Published
Abstract [en]

Two different approximations to the density functional, the local (spin) density approximation (LDA) in the Hedin-Lundqvist parametrization and the Perdew-Wang generalized gradient approximation (GGA), are compared using the lanthanide series plus barium

Place, publisher, year, edition, pages
AMERICAN PHYSICAL SOC , 1998. Vol. 58, no 8, 4345-4351 p.
Keyword [en]
RARE-EARTH-METALS; DENSITY-FUNCTIONAL THEORY; ALPHA-GAMMA-TRANSITION; KONDO VOLUME-COLLAPSE; PHASE-DIAGRAM; GAMMA->ALPHA TRANSITION; ELECTRONIC-PROPERTIES; BRILLOUIN-ZONE; SPECIAL POINTS; APPROXIMATION
Identifiers
URN: urn:nbn:se:uu:diva-70490OAI: oai:DiVA.org:uu-70490DiVA: diva2:98401
Note
Addresses: Delin A, Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, POB 530, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Univ Calif Los Alamos Natl Lab, Ctr Mat Sci & Theoret Div, Los AlamoAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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