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Single-reference MMCC formalism

The key idea of the single-reference MMCC formalism [47-50, 52,61-63] (cf. Refs. [80-82] for a multi-reference extension) is that of the state-selective, noniterative energy corrections... [Pg.49]

As mentioned in the Introduction, the renormalized (R) and completely renormalized (CR) CC approaches, which represent new classes of noniterative single-reference CC methods that are capable of removing the failing of the standard CCSD(T) and similar methods at larger internuclear separations, are based on the formalism of the method of moments of CC equations (MMCC) [11-13, 30-32,36, 75, 76]. Thus, we begin our description of the R-CC and CR-CC methods and their quadratic MMCC (QMMCC) extension for multiple bond breaking with a synopsis of the general MMCC theory. [Pg.126]


See other pages where Single-reference MMCC formalism is mentioned: [Pg.39]    [Pg.68]    [Pg.49]    [Pg.39]    [Pg.68]    [Pg.113]    [Pg.119]    [Pg.186]    [Pg.200]    [Pg.37]   
See also in sourсe #XX -- [ Pg.49 ]




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