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Showing 1 to 4 of 4 for “"Linearized Augmented Plane Wave Method"”.

  1. Ab initio all-electron full-potential linearized augmented plane-wave method for one-dimensional systems

    … presented an extension of the full-potential linearized augmented plane-wave (FLAPW) method to truly one-dimensional systems. The space is partitioned into three regions, the muffin-tin sphere around the atom, a vacuum region surrounding a cylinder and the interstitial region betweenthe atoms …

    aachen Repository record for Ab initio all-electron full-potential linearized augmented plane-wave method for one-dimensional systems (opens in a new tab)

  2. Ab initio calculations of spin wave excitation spectra from time-dependent density functional theory

    … elementary magnetic excitations, so-called spin waves. The theoretical foundation of spin-wave excitations is systematically worked out, the central points of a computer implementation is presented, and results are finally shown. A central property of these calculations is that no …

    aachen Repository record for Ab initio calculations of spin wave excitation spectra from time-dependent density functional theory (opens in a new tab)

  3. All-electron GW calculations for perovskite transition metal oxides

    … perturbation theory which has emerged as the method of choice to describe single-particle excitation spectra of solids. In this work, the full-potential linearized augmented plane-wave method (FLAPW) is used in all calculations. As an all-electron scheme it is particularly suitable to describe …

    aachen Repository record for All-electron GW calculations for perovskite transition metal oxides (opens in a new tab)