Extended muffin-tin orbital theory applied to the reaction of CO+H2 on Ni(001) The method using energy bands from a linear combination of muffin-tin orbitals has been extended so that the unit cell is now divided into muffin-tin and n... RV Kasowski,E Caruthers - 《Phys.rev.b》 被引...
Exact Muffin-Tin Orbital Theory. O. K.Andersen,O. Jepsen,G. Krier. Lectures on Methods of Electronic Structure Calculations . 1994O.K. Andersen, O. Jepsen, G. Krier, Exact muffin-tin orbital theory, in Lectures on methods of electronic struc- ture calculations, edited by V. Kumar, O.K...
Application of the exact muffin-tin orbital theory: the sperical cell approximation. Comp. Mat. Sci. 18, 24.Vitos L, Skriver H L, Johansson B and Kollar J 2000 Application of the exact muffin-tin orbitals theory: the spherical cell approximation Comput. Mater. Sci. 18 24...