Triply excited moments

As we can see, the QMMCC(2,6) method represents a considerable improvement over the LMMCC or CR-CCSD[T], CR-CCSD(T), and CR-CCSD(TQ),b methods. In addition to the linear terms in Y that are already present in the LMMCC or CR-CCSD[T] and CR-CCSD(T) models and that engage the triply excited moments (2) (see eqs (23)-<26)) and in addition to the quadratic (32 ) terms that are present in the CR-CCSD(TQ),b energy expression and that engage the tetraexcited moments (2) (14), the... 

TABLE 1. Explicit algebraic expressions for the matrix elements elements of (designated by h) and other intermediates (designated by I or i9) used to construct the triply excited moments of the CCSD/EOMCCSD equations, Eq. (60). 

By following the algorithm described in Figure 3 and by using the idea of recursively generated intermediates in the calculation of the triply excited moments Table 1) and the CR-EOMCCSD(T)... 

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