Self-Consistent Implementation of Kohn-Sham Adiabatic Connection Models with Improved Treatment of the Strong-Interaction Limit.

The accuracy of the ISI-hPC@SCF approach for the H 2 dissociation limit is thus quite significant, considering that it uses full exact exchange and a combination of GL2 and a GGA functional without empirical parameters, in contrast to other approaches that use more complex constructions or extensive fitting on molecular data. 98 , 102 Conclusions In this paper, we have shown that it is possible to use ACM-based XC functionals in a full SCF procedure.

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