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