Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure

Authors :: Delin, A
Fast, L
Johansson, B
Eriksson, O
Wills, JM
Delin, A
Fast, L
Johansson, B
Eriksson, O
Wills, JM
Publication Year :: 1998
Abstract: 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<br />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 Alamo

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