This document discusses the limitations of the Gutzwiller trial state in capturing the large U behavior of the Hubbard model. Specifically, it fails to account for an "effective attraction" between doublon and holon sites that is important for large U. The Gutzwiller wave function is proposed to be augmented with an intersite projector that incorporates the spatial distribution and correlation between doublon and holon sites in order to better describe the system.
This document discusses the limitations of the Gutzwiller trial state in capturing the large U behavior of the Hubbard model. Specifically, it fails to account for an "effective attraction" between doublon and holon sites that is important for large U. The Gutzwiller wave function is proposed to be augmented with an intersite projector that incorporates the spatial distribution and correlation between doublon and holon sites in order to better describe the system.
This document discusses the limitations of the Gutzwiller trial state in capturing the large U behavior of the Hubbard model. Specifically, it fails to account for an "effective attraction" between doublon and holon sites that is important for large U. The Gutzwiller wave function is proposed to be augmented with an intersite projector that incorporates the spatial distribution and correlation between doublon and holon sites in order to better describe the system.
The presence of the unwanted logarithmic factor in the asymptotic en- ergy density (10.36) is a clear indication that the Gutzwiller trial state (9.16) fails to capture an essential feature of the large-ll behaviour of the Hubbard model. We guess that the predicted ground state energy lowering due to polarity fluctuations is too small because the density of doubly occupied sites (10.35) is too strongly suppressed. The reason for this waa understood [202]as follows: starting from a neutral back- ground, the hopping process (9.38) creates a nearest-neighbour pair of d and e sites. It is preferred that in the next step, the system returns to a low-energy configuration via the process (9.41). Thus for large U we should see an "effective attraction" between d and e sites: most of the d sites are found next to an e site. The Gutzwiller wave function does not incorporate this feature: the weight factor q N d counts merely the total number of the d sites, without paying attention to the spatial distribution of the sites. For this reason, the creation of d sites looks energetically more unfavourable than it actually is. The Gutzwiller trial state (9.16) has the general structure of a pro- jection operator applied to a reference state
I@)= @GI@'O) (10.37)
where the Gutzwiller projector
contains the variational parameter and ISa) = IFS), the non-interacting
Fermi sea. If we want to include the possibility of an effective e-d attraction, it is straightforward to augment the Gutzwiller Ansatz in the following way IS') = i)de * PG~FS) (10.39) where the new intersite projector