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. 2012 Apr 26;8(6):1970–1982. doi: 10.1021/ct300211j

Figure 2.

Figure 2

Distribution of the absolute value of the CI coefficients corresponding to the Slater determinants in the DMRG(7,7)[m] calculations with different renormalized active-system states m and in the CAS(7,7)SCF reference calculation for [Fe(NO)]2+ surrounded by four point charges at a distance of dpc = 0.598 Å from the iron atom. All Slater determinants are ordered according to the CI weights of the CAS(7,7)SCF calculation.