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Over the course of the past few decades, the field of computational chemistry has managed to manifest itself as a key complement to more traditional lab-oriented chemistry.
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Whereas a semicanonical reference is conventionally required when CCSD(T) is employed on top of ROHF references Rittby and Bartlett (1988) ; Watts et al. (1993) , the pragmatism exerted in case of RHF references, for which virtual MO energies are approximated by diagonal Fock elements, is repeated also for open-shell cases. Furthermore, the presence of off-diagonal Fock matrix elements ( f i a f_{ia} and f a i f_{ai} ) is ignored in all ROHF-CCSD(T) base model calculations. The argument from earlier is, however, reiterated, as the quantitative performance of the resulting CCSD(T)-like base model remains preserved irrespective of the loss of theoretical exactness, making it perfectly suitable for its present purposes as an MBE-FCI base model
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