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Multi-reference Brillouin-Wigner configuration interaction theory

Multi-reference Brillouin-Wigner configuration interaction theory... [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]

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 Multi-reference Brillouin-Wigner configuration interaction theory is mentioned: [Pg.167]    [Pg.171]    [Pg.30]    [Pg.52]    [Pg.31]    [Pg.33]   
See also in sourсe #XX -- [ Pg.171 ]




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