Density-functional approach to spin-density waves

Instituto de Física de São Carlos, Universidade de São Paulo Caixa Postal 369, São Carlos, 13560-970 SP, Brazil

Received: 22 March 1999
Accepted: 24 November 1999

Abstract

We propose a novel density-functional approach to antiferromagnetism and spin-density waves. Nonlocal antiferromagnetic correlations and possible noncollinear spin configurations are incorporated via a staggered density, which enters the formalism on the same footing as the particle density. We establish the pertinent generalization of the Hohenberg-Kohn theorem, derive the associated Kohn-Sham equations, outline the construction of approximations for the corresponding exchange and correlation functional, discuss the relation of the present method to other density-functional approaches, and report a first application to a simple model system.