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Limited configuration interaction multi-reference Brillouin-Wigner

Multi-reference Brillouin-Wigner perturbation theory for limited configuration interaction... [Pg.171]

A posteriori corrections can be developed for calculations performed by using the Brillouin-Wigner perturbation expansion. These a posteriori corrections can be obtained for the Brillouin-Wigner perturbation theory itself and, more importantly, for methods, such as limited configuration interaction or multi-reference coupled cluster theory, which can be formulated within the framework of a Brillouin-Wigner perturbation expansion. [Pg.43]

If j) is a determinant related to one of the reference determinants by a double replacement, then k) involves, at most, quadruple replacements with respect to 1 ) in eq. (4.193). Repeated application of the Lippmann-Schwinger-file equation [160] leads to higher order replacements. If we restrict the degree of replacement admitted in (4.193) then we realize a limited multi-reference configuration interaction method. It is this realization of the multi-reference limited configuration interaction method that we use to obtain an a posteriori correction based on Brillouin-Wigner perturbation theory. [Pg.175]

A posteriori Brillouin-Wigner correction to limited multi-reference configuration interaction... [Pg.176]

We are now in a position to develop an a posteriori correction to state-specific limited multi-reference configuration interaction in the case of a p-state reference function. The following identity relates the Brillouin-Wigner and the Rayleigh-Schrodinger denominators [18,76,77] for the ground state (a = 0) ... [Pg.176]


See other pages where Limited configuration interaction multi-reference Brillouin-Wigner is mentioned: [Pg.52]    [Pg.33]    [Pg.171]    [Pg.30]    [Pg.167]   


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