4.6 Article

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

期刊

PHYSICAL REVIEW B
卷 81, 期 2, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.024430

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资金

  1. Grupos Consolidados UPV/EHU del Gobierno Vasco [IT-319-07]
  2. Deutsche Forschungsgemeinschaft [SPP 1145]
  3. European Community through a Marie Curie IIF [MIF1-CT-2006-040222]
  4. CONICET of Argentina [PIP 5254]

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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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