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Triple excitations CCSD/EOMCCSD calculations

We limit our discussion to the low-order MMCC(myi, ms) schemes with ruA = 2 and niB =, which can be used to correct the results of the CCSD/EOMCCSD calculations for the effects of triple excitations (for the description of the MMCC(2,4) and other higher-order MMCC mA,mB) methods, see Refs. [48-50,52,61-63,72]). The MMCC(2,3) energy expression is as follows [47-52,61-63, 72] ... [Pg.64]

See other pages where Triple excitations CCSD/EOMCCSD calculations is mentioned: [Pg.63]    [Pg.101]    [Pg.47]    [Pg.80]    [Pg.84]    [Pg.91]    [Pg.101]    [Pg.102]    [Pg.301]    [Pg.230]    [Pg.235]    [Pg.46]    [Pg.48]    [Pg.107]    [Pg.228]    [Pg.233]    [Pg.32]   


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CCSD

CCSD calculations

EOMCCSD

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