Average STDHF (ASTDHF)

Basic Theory 


ASTDHF is a simplification of STDHF in which the ensemble of propagated « pure » (in statistical physics terms) mean field states is replaced by one single « mixed » directly integrating correlations. The reduction implies a single associated mean field and thus loss of mean field fluctutaions but gain of the (costly) propagation of the various mean fields. Correlations are computed « a la STDHF » by reconstituting occasionnally an instantaneous STDHF ensemble. This implies representing the mixed state by an ensemble of pure states for computing correlations which in particular allows to reconstruct many-body density matrices at any order, just as in STDHF.





Example of application 

Excellent agreement between ASTDHF and STDHF



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