Sy. Wu et al., GENERAL RECURSIVE RELATION FOR THE CALCULATION OF THE LOCAL GREEN-FUNCTION IN THE RESOLVENT-MATRIX APPROACH, Physical review. B, Condensed matter, 49(12), 1994, pp. 7957-7963
In this paper we present a general recursive scheme which provides the
basis for an efficient calculation of the local Green's function in t
he resolvent-matrix approach. To test the validity and the efficiency
of the scheme, we applied it to calculate the bulk density of states o
f a crystalline GaP. Since the eigenstates in a crystalline solid are
all extended, this case study should provide a stringent test for the
efficiency of the convergence procedure. The result of the case study
indicates that the general recursive relation eliminates the redundanc
y in the calculation of the local Green's function, thus improving the
efficiency of the convergence procedure. Furthermore, the case study
also demonstrates that the convergence procedure can yield results as
accurately as one desires even under the most unfavorable conditions.