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Limited configuration interaction Brillouin-Wigner perturbation

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]

Brillouin-Wigner perturbation theory and limited configuration interaction Let us write the exact Schrodinger equation as... [Pg.167]

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

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]


See other pages where Limited configuration interaction Brillouin-Wigner perturbation is mentioned: [Pg.440]    [Pg.52]    [Pg.71]    [Pg.72]    [Pg.30]    [Pg.33]    [Pg.134]    [Pg.167]    [Pg.167]    [Pg.167]    [Pg.171]   


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