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Based Storage of Integrals and Amplitudes

Additional computational efficiency in the solution of the coupled cluster equations may be employed by formulating each of the terms as matrix-matrix or matrix-vector products, for which modern workstations and supercom- [Pg.110]

If the molecular orbitals are organized such that all orbitals of a given irrep are grouped together, the matrix-based storage scheme described above takes on a particularly convenient form. Using the C2 point group as an example, the T2 matrix of Eq. [238] may be schematically written as [Pg.112]


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