We show that backflow correlations in the variational wave function for the Hubbard model greatly improve the previous results given by the Slater-Jastrow state, usually considered in this context. We provide evidence that, within this approach, it is possible to have a satisfactory connection with the strong-coupling regime. Moreover, we show that, for the Hubbard model on the lattice, backflow correlations are essentially short range, inducing an effective attraction between empty (holons) and doubly occupied sites (doublons). In the presence of frustration, we report the evidence that the metal to Mott-insulator transition is marked by a discontinuity of the double occupancy, together with a similar discontinuity of the kinetic term that does not change the number of holons and doublons, while the other kinetic terms are continuous across the transition. Finally, we show the estimation of the charge gap, obtained by particle-hole excitations 'a la Feynman over the ground-state wave function.

Backflow correlations in the Hubbard model: An efficient tool for the study of the metal-insulator transition and the large-U limit

Tocchio, Luca Fausto;Becca, Federico;
2011-01-01

Abstract

We show that backflow correlations in the variational wave function for the Hubbard model greatly improve the previous results given by the Slater-Jastrow state, usually considered in this context. We provide evidence that, within this approach, it is possible to have a satisfactory connection with the strong-coupling regime. Moreover, we show that, for the Hubbard model on the lattice, backflow correlations are essentially short range, inducing an effective attraction between empty (holons) and doubly occupied sites (doublons). In the presence of frustration, we report the evidence that the metal to Mott-insulator transition is marked by a discontinuity of the double occupancy, together with a similar discontinuity of the kinetic term that does not change the number of holons and doublons, while the other kinetic terms are continuous across the transition. Finally, we show the estimation of the charge gap, obtained by particle-hole excitations 'a la Feynman over the ground-state wave function.
2011
83
19
http://link.aps.org/doi/10.1103/PhysRevB.83.195138
Tocchio, Luca Fausto; Becca, Federico; Gros, C.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/32357
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