TY  - JOUR
AU  - Zeller, Rudolf
TI  - The Korringa–Kohn–Rostoker method with projection potentials: exact result for the density
JO  - Journal of physics / Condensed matter
VL  - 27
IS  - 30
SN  - 1361-648X
CY  - Bristol
PB  - IOP Publ.
M1  - FZJ-2016-01200
SP  - 306301
PY  - 2015
AB  - A well known problem in the Korringa–Kohn–Rostoker (KKR) multiple-scattering method concerns the error in density normalization arising from finite angular momentum expansions used in numerical treatments. It is shown that this problem can be solved if the potential around each atom is understood as a non-local projection potential in angular momentum space and that the density can be calculated exactly without infinite angular momentum sums if the projection acts on a finite subspace of spherical harmonics. This restriction implicates no loss of generality because an arbitrary potential can be approximated by increasing the subspace as closely as desired.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000358585900015
DO  - DOI:10.1088/0953-8984/27/30/306301
UR  - https://juser.fz-juelich.de/record/281511
ER  -