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- W1611331207 abstract "This chapter presents the fifth-order terms generated by several different coupled-cluster (CC) approaches and compares them with all fifth-order MBPT diagrams. This will enable to analyze the steps required to compute these terms. Several simplifications are identified. In particular, all the fifth-order diagrams arising from T4 may be obtained with only an n6 algorithm. To enumerate the fifth-order terms, a modified type of diagram is introduced that reduces the overall number of fifth-order diagrams. There are several different methods of calculating fifth-order diagrams. One of the most straightforward would be to collect all the different fifth-order diagrams, to factorize them if possible, and to compute them one by one, several of them requiring multiplication by two to account for their Hermitian conjugates demonstrated by comparing, for instance, groups of diagrams. Later, the results discussed in the chapter exhibit that the calculation of the fifth-order energy is feasible and when carefully implemented may be applied to moderate-sized systems. The number of terms that must be considered may be substantially reduced by taking into account the fact that many of the diagrams have identical values and many are amendable to factorization." @default.
- W1611331207 created "2016-06-24" @default.
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- W1611331207 date "1986-01-01" @default.
- W1611331207 modified "2023-10-12" @default.
- W1611331207 title "Fifth-Order Many-Body Perturbation Theory and Its Relationship to Various Coupled-Cluster Approaches" @default.
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- W1611331207 doi "https://doi.org/10.1016/s0065-3276(08)60051-9" @default.
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