Screened exact exchange functional calculations of the spin-wave dispersion in transition metals

The screened "exact" nonlocal exchange approach is applied to the calculati on of magnetic susceptibility of transition metals, particularly to the cal culation of spin-wave dispersion. We discuss the choice of an appropriate a pproach and aspects of linear muffin-tin orbital-atomic sphere approximatio n (ASA) calculations, in particular calculation of the Green function in th e three-center approximation. We calculated transverse spin-wave frequencie s in Fe with the local density approximation and with the nonlocal function al using both the "frozen" magnon method and calculation of bound state ene rgies (corresponding to spin-wave excitations). (C) 2000 American Institute of Physics. [S0021-8979(00)64508-5].