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Multiconfiguration MC TDHF theory

The variational equations formulated in Section 12.2 may be used to obtain a /nu/ iconfiguration form of the TDHF equations, the generalization being similar to that made in Section 11.9 for a static perturbation. One or two new features appear, however, in the time-dependent case in particular, spedal care is needed in using the Frenkel principle (McWeeny, 1983). We therefore proceed cautiously, writing the principle in the fiiller form (12.2.5a), namely [Pg.442]

It is only when the two terms are linearly independent that it is sufficient to equate each separately to zero, obtaining Frenkel s original form. Orbital variation may be introduced as in Section 8.2 by using [Pg.443]

Changes in W will involve derivatives with respect to both p and p for variations preserving orthonormality, these are not independent, since A must then be anti-Hermitian and hence p = —p, but this constraint may be introduced later. [Pg.443]

The first term in (12.7.1) has already been reduced in deriving (12.2.14) it may now be written in full as [Pg.443]

On introducing the constraints 5p/i=-5pjj, dy=—d, the variation (12.7.4) takes the form [Pg.443]


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Multiconfiguration

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