Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2003
Pareto-optimal alloys
Thomas Bligaard, Gisli H. Johannesson, Andrei V. Ruban +3
Large databases that can be used in the search for new materials with specific properties remain an elusive goal in materials science. The search problem is complicated by the fact…
cond-mat.mtrl-sci2000
Application of the Exact Muffin-Tin Orbitals Theory: the Spherical Cell Approximation
L. Vitos, H. L. Skriver, B. Johansson +1
We present a self-consistent electronic structure calculation method based on the {\it Exact Muffin-Tin Orbitals} (EMTO) Theory developed by O. K. Andersen, O. Jepsen and G. Krier…