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Third-order polarization propagator approximation

Evaiuating aii the terms in the partitioned form of the poiarization propagator, Eq. (10.15), through third order one obtains the third-order polarization propagator approximation (TOPPA). The expressions for aii matrix eiements have been derived but oniy parts have been impiemented (Geertsen et at, 1991a). [Pg.222]

This keeps essentially the structure of the SOPPA equations but replaces in all matrix elements the first-order MP doubles correlation coefficients, Eq. (9.67), and the second-order MP singles correlation coefficient, Eq. (9.71), by coupled cluster singles and doubles amplitudes. In the earlier coupled cluster singles and doubles polarization propagator approximation (CCSDPPA) (Geertsen et al., 1991a), a precursor to SOPPA(CCSD), this was done only partially and in particular not in the second-order correction to the density matrix Very recently, a third method (Kjaer... [Pg.222]


See other pages where Third-order polarization propagator approximation is mentioned: [Pg.261]    [Pg.469]    [Pg.470]    [Pg.138]    [Pg.261]    [Pg.347]    [Pg.360]    [Pg.19]    [Pg.1383]    [Pg.3]    [Pg.78]    [Pg.1379]    [Pg.1380]    [Pg.164]    [Pg.19]   
See also in sourсe #XX -- [ Pg.222 ]




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