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The multiconfigurational self-consistent field model

In MCSCF theory, the wave function is written as a linear combination of determinants or CSFs. whose expansion coefficients are optimized simultaneously with the MOs according to the variation [Pg.176]

This model allows for a highly flexible description of the electronic system, where both the one-electron functions (the MOs) and the A -electron function (the configurations) may adapt to the physical situation. [Pg.177]


MCSCF, the multiconfigurational self-consistent field model... [Pg.374]


See other pages where The multiconfigurational self-consistent field model is mentioned: [Pg.143]    [Pg.176]   


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Field modeling

Multiconfiguration

Multiconfiguration self-consistent

Multiconfiguration self-consistent field

Multiconfigurational self-consistent

Multiconfigurational self-consistent field

Self-Consistent Field

Self-consistent model

Self-consisting fields

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