K. Kokko et Mp. Das, SOME GROUND-STATE PROPERTIES OF 3D AND 4D METALS STUDIED USING THE GENERALIZED GRADIENT APPROXIMATION, Journal of physics. Condensed matter, 10(6), 1998, pp. 1285-1291
The generalized gradient approximation (GGA) for the exchange-correlat
ion energy has recently become available in a simple form that can be
used in place of the local density approximation (LDA). We have applie
d this simplified GGA within a self-consistent LMTO method to study th
e equilibrium volume and bulk moduli of 3d and 4d transition metals. W
e have obtained systematic improvements of the results in comparison w
ith those obtained using the LDA.