Characterization of RAS-CI electronic states can be alternatively performed by
diabatizaion of multiple eigenstates of the RAS-CI Hamiltonian.
Diabatic states can be obtained following a Boys,
J. Chem. Phys.
(2008), 129, pp. 244101. Edmiston-Ruedenberg 1090 J. Chem. Phys.
(2009), 130, pp. 234102. or dipole-quadrupole (DQ) 488 J. Chem. Phys.
(2014), 141, pp. 114104. localization schemes. See section 10.14.1.2 for details. To activate the diabatization analysis of excited states in RAS-CI method it is necessary to define a section block (see $localized_diabatization keyword) that defines the list of excited states to be included in the diabatization (by increasing order). This is equivalent to the one used for the diabatization of CIS/TDDFT states.