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The approach to self-consistency

The reviews of the MCSCF method by Shepard [129] and Werner [130] are too technical to summarize briefly. We shall content ourselves with pointing out that the structure of our MCDHF(B) equations is consistent with the nonrela-tivistic theory, so that much of the nonrelativistic formalism can be adopted with little change. The nonrelativistic energy expression is of the form of (231) and can be regarded as a function of the CSF coefficients Cj and the MO expansion coefficients where [Pg.189]

The simple Newton-Raphson method attempts to find the minimum of this quadratic expression by solving the linear system [Pg.190]


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Self-consistent approach

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