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Brillouin-Wigner coupled-cluster theory, single-root formulation

Single-root formulation of the multi-reference Brillouin-Wigner coupled-cluster theory... [Pg.155]

The application of the Brillouin-Wigner coupled cluster theory to the multireference function electron correlation problem yields two distinct approaches (i) the multi-root formalism which was discussed in Section 4.2.2 and (ii) the single-root formalism described in the previous subsections of this section. Section 4.2.3. The multiroot multi-reference Brillouin-Wigner coupled cluster formalism reveals insights into other formulations of the multi-reference coupled cluster problem which often suffer from the intruder state problem which, and in practice, may lead to spurious... [Pg.162]


See other pages where Brillouin-Wigner coupled-cluster theory, single-root formulation is mentioned: [Pg.75]    [Pg.137]    [Pg.156]    [Pg.156]    [Pg.93]   


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Single-root formulation of the multi-reference Brillouin-Wigner coupled-cluster theory

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