Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory
نویسندگان
چکیده
F. G. Eich,1,2,3,* S. Kurth,4,5,3 C. R. Proetto,2,3,† S. Sharma,1,3 and E. K. U. Gross1,3 1Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany 2Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany 3European Theoretical Spectroscopy Facility (ETSF) 4Nano-Bio Spectroscopy Group, Depto. de Física de Materiales, Universidad del País Vasco UPV/EHU, Centro Mixto CSIC-UPV/EHU, Av. Tolosa 72, E-20018 San Sebastián, Spain 5IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao, Spain Received 2 October 2009; published 29 January 2010
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Transverse spin-gradient functional for noncollinear spin-density-functional theory.
We present a novel functional for spin-density-functional theory aiming at the description of noncollinear magnetic structures. The construction of the functional employs the spin-spiral-wave state of the uniform electron gas as reference system. We show that the functional depends on transverse gradients of the spin magnetization; i.e., in contrast with the widely used local spin density appro...
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