The spin angular gradient approximation in the density functional theory

Details The spin angular gradient approximation in the density functional theory The spin angular gradient approximation in the density functional theory

2002-08-21

arxiv.org/abs/cond-mat/0208420v1

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

10.1103/PhysRevB.67.140406

A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation. The proposed technique does not contain any approximations for the form of potential and can be used in modern full potential band structure methods. The obtained results indicate that the direct 'potential' exchange in 3d magnets is rather small compared to the indirect 'kinetic' exchange, thus justifies the dynamical aspect of the local density approximation in 3d metals.

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