The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study

Table 10

Energies for the different triangle nanoislands in hartree.

Nanoisland	State	STO-3G			Roos basis set
		RHF	CASCI	NEVPT2	RHF
T_2
T_3
					-
T_4
					-
T_5					-
					-
					-
T_6					-
					-
					-
T_7		−2932.054308			-
					-
					-
					-
					-