Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory

Physical Review B 81, 024430 (2010)

Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory

F.G. Eich, S. Kurth, C.R. Proetto, S. Sharma, E.K.U. Gross

The noncollinear spin-spiral density wave of the uniform electron gas is studied in the framework of reduced-density-matrix-functional theory. For the Hartree-Fock approximation, which can be obtained as a limiting case of reduced-density-matrix-functional theory, Overhauser showed a long-time ago that the paramagnetic state of the electron gas is unstable with respect to the formation of charge- or spin-density waves. Here we not only present a detailed numerical investigation of the spin-spiral density wave in the Hartree-Fock approximation but also investigate the effects of correlations on the spin-spiral density wave instability by means of a recently proposed density-matrix functional.

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http://dx.doi.org/10.1103/PhysRevB.81.024430

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