Tags: ab initio

More tags

Description

A calculation that relies on basic and established laws of nature without additional assumptions or special models. Also see 1st principles.

Downloads (1-1 of 1)

  1. Real space first-principles semiempirical pseudopotentials for Fe/MgO/Fe

    3.0 out of 5 stars 

    Downloads | 03 Dec 2008 | Contributor(s):: Kirk Bevan

    A set of semiempirical pseudopotentials for the atomistic modeling of Fe/MgO/Fe tunnel junctions. See the attached document for a full description of their derivation and the modeling approach.Document Abstract:We present a real space density functional theory (DFT) localized basis set...