We study ground-state properties of the two-dimensional Hubbard model at half filling by improving variational Monte Carlo method and by implementing quantum-number projection and multi-variable optimization. The improved variational wave function enables a highly accurate description of the Mott transition and strong fluctuations in metals. We clarify how anomalous metals appear near the first-order Mott transition. The double occupancy stays nearly constant as a function of the on-site Coulomb interaction in the metallic phase near the Mott transition in agreement with the previous unbiased results. This unconventional metal at half filling is stabilized by a formation of ``electron-like pockets'' coexisting with an arc structure, which leads to a prominent differentiation of electrons in momentum space. An abrupt collapse of the ``pocket'' and ``arc'' drives the first-order Mott transition.
Metals approaching the Mott insulator generate a new hierarchy in the electronic structure accompanied by a momentum dependent electron differentiation, beyond the Mott-Hubbard, Brinkman-Rice and Slater pictures of the Mott transition. To consider such nonlinear phenomenon, we develop an analytic nonperturbative theory based on operator projections combined with a self-consistent treatment of the low-energy excitations. This reproduces the formation of the Hubbard bands, Mott gap, spin fluctuations, mass divergence, diverging charge compressibility, and strongly renormalized flat and damped di…
We introduce a valence-bond dynamical mean-field theory of doped Mott insulators. It is based on a minimal cluster of two orbitals, each associated with a different region of momentum space and hybridized to a self-consistent bath. The low-doping regime is characterized by singlet formation and the suppression of quasiparticles in the antinodal regions, leading to the formation of Fermi arcs. This is described in terms of an orbital-selective transition in reciprocal space. The calculated tunneling and photoemission spectra are consistent with the phenomenology of the normal state of cuprates.…
The nature of the metal-insulator Mott transition at zero temperature has been discussed for a number of years. Whether it occurs through a quantum critical point or through a first order transition is expected to profoundly influence the nature of the finite temperature phase diagram. In this paper, we study the zero temperature Mott transition in the two-dimensional Hubbard model on the square lattice with the variational cluster approximation. This takes into account the influence of antiferromagnetic short-range correlations. By contrast to single-site dynamical mean-field theory, the tran…
The kinetic features of holes (electrons) in the Hubbard model are studied using a variational Monte Carlo method. In doped Mott insulators (U>U_co), holes are classified, in the sense of conduction, into two categories: (i) The holes appearing in doublon-holon pairs are localized, encourage singlet pair formation, and gain the energy to induce a superconducting transition. (ii) The doped holes become carriers, make the system itinerant (superconducting or metallic), but lose the energy in the transition. These two roles are distinguished in correlated superconductivity. This feature is common…
The Gutzwiller wave function for a strongly correlated model can, if supplemented with a long-range Jastrow factor, provide a proper variational description of Mott insulators, so far unavailable. We demonstrate this concept in the prototypical one-dimensional $t-t^\prime$ Hubbard model, where at half filling we reproduce all known phases, namely the ordinary Mott undimerized insulator with power-law spin correlations at small $t^\prime/t$, the spin-gapped metal above a critical $t^\prime/t$ and small $U$, and the dimerized Mott insulator at large repulsion.
A new mean field theory is proposed for the Mott transition in the Hubbard model based on the slave rotor representation of the electron operator. This theory provides a better description of the role of the long range charge correlation in the Mott insulating state and offers a good estimation of the critical correlation strength for the Mott transition. We have constructed a new variational wave function for the Mott insulating state based on this new slave rotor mean field theory. We find this new variational wave function outperforms the conventional Jastrow type wave function with long ra…
We study the Mott transition occurring for bosonic Hubbard models in one, two, and three spatial dimensions, by means of a variational wave function benchmarked by Green's function Monte Carlo calculations. We show that a very accurate variational wave function, constructed by applying a long-range Jastrow factor to the non-interacting boson ground state, can describe the superfluid-insulator transition in any dimensionality. Moreover, by mapping the quantum averages over such a wave function into the the partition function of a classical model, important insights into the insulating phase are…
The introduction of Neural Quantum States (NQS) has recently given a new twist to variational Monte Carlo (VMC). The ability to systematically reduce the bias of the wave function ansatz renders the approach widely applicable. However, performant implementations are crucial to reach the numerical state of the art. Here, we present a Python codebase that supports arbitrary NQS architectures and model Hamiltonians. Additionally leveraging automatic differentiation, just-in-time compilation to accelerators, and distributed computing, it is designed to facilitate the composition of efficient NQS a…
We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte-Carlo results for ab initio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics and Hund's-rule coupling, followed by antiferromagnetic quantum criticality, in quantit…
The variational local moment approach (VLMA) solution of the single impurity Anderson model is presented. It generalizes the local moment approach of Logan et al. by invoking the variational principle to determine the lengths of local moments and orbital occupancies. We show that VLMA is a comprehensive, conserving and thermodynamically consistent approximation and treats both Fermi and non-Fermi liquid regimes as well as local moment phases on equal footing. We tested VLMA on selected problems. We solved the single- and multi-orbital impurity Anderson model in various regions of parameters, w…
We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction $U$, we can identify a hidden critical point $U_{\rm Mott}$, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the pa…
To understand the mechanism of Mott transitions in case of no magnetic influence, superfluid-insulator (Mott) transitions in the S=0 Bose Hubbard model at unit filling are studied on the square and triangular lattices, using a variational Monte Carlo method. In trial many-body wave functions, we introduce various types of attractive correlation factors between a doubly-occupied site (doublon, D) and an empty site (holon, H), which play a central role for Mott transitions, in addition to the onsite repulsive (Gutzwiller) factor. By optimizing distance-dependent parameters, we study various prop…
We study the Mott metal-insulator transition in the two-band Hubbard model with different hopping amplitudes $t_1$ and $t_2$ for the two orbitals on the two-dimensional square lattice by using {\it non-magnetic} variational wave functions, similarly to what has been considered in the limit of infinite dimensions by dynamical mean-field theory. We work out the phase diagram at half filling (i.e., two electrons per site) as a function of $R=t_2/t_1$ and the on-site Coulomb repulsion $U$, for two values of the Hund's coupling $J=0$ and $J/U=0.1$. Our results are in good agreement with previous dy…
Aspects of electron critical differentiation are clarified in the proximity of the Mott insulator. The flattening of the quasiparticle dispersion appears around momenta $(π,0)$ and $(0,π)$ on square lattices and determines the criticality of the metal-insulator transition with the suppressed coherence in that momentum region of quasiparticles. Such coherence suppression at the same time causes an instability to the superconducting state if a proper incoherent process is retained. The d-wave pairing interaction is generated from such retained processes without disturbance from the coherent sing…
We study metal-insulator transitions between Mott insulators and metals. The transition mechanism completely different from the original dynamical mean field theory (DMFT) emerges from a cluster extension of it. A consistent picture suggests that the quasiparticle weight $Z$ remains nonzero through metals and suddenly jumps to zero at the transition, while the gap opens continuously in the insulators. This is in contrast with the original DMFT, where $Z$ continuously vanishes but the gap opens discontinuously. The present results arising from electron differentiation in momentum space agree wi…
We investigate the properties of the frustrated underdoped Hubbard model on the square lattice using two complementary approaches, the dynamical cluster extension of dynamical mean field theory, and variational Monte Carlo simulations of Gutzwiller-Jastrow wavefunctions with backflow corrections. We compare and discuss data for the energy and the double occupancies, as obtained from both approaches. At small dopings, we observe a rapid crossover from a weakly correlated metal at low interaction strength U to a non-Fermi liquid correlated state with strong local spin correlations. Furthermore, …
We study the superfluid-insulator transition in Bose-Hubbard models in one-, two-, and three-dimensional cubic lattices by means of a recently proposed variational wave function. In one dimension, the variational results agree with the expected Berezinskii-Kosterlitz-Thouless scenario of the interaction-driven Mott transition. In two and three dimensions, we find evidences that, across the transition,most of the spectral weight is concentrated at high energies, suggestive of pre-formed Mott-Hubbard side-bands. This result is compatible with the experimental data by Stoferle et al. [Phys. Rev. …
We show that a particular class of variational wave functions reproduces the low-energy properties of the Hubbard model in one dimension. Our approach generalizes to finite on-site Coulomb repulsion the fully-projected wave function proposed by Hellberg and Mele [Phys. Rev. Lett. {\bf 67}, 2080 (1991)] for describing the Luttinger-liquid behavior of the doped $t{-}J$ model. Within our approach, the long-range Jastrow factor emerges from a careful minimization of the energy, without assuming any parametric form for the long-distance tail. Specifically, in the conducting phase of the Hubbard mod…
We derive an exact operatorial reformulation of the rotational invariant slave boson method and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. We apply our theory to the archetypical nuclear fuel UO$_2$, and show that the ground state of this system displays a pronounced orbital differention within the $5f$ manifold, with Mot…
The variational cluster approximation is used to study the ground-state properties and single-particle spectra of the three-component fermionic Hubbard model defined on the two-dimensional square lattice at half filling. First, we show that either a paired Mott state or color-selective Mott state is realized in the paramagnetic system, depending on the anisotropy in the interaction strengths, except around the SU(3) symmetric point, where a paramagnetic metallic state is maintained. Then, by introducing Weiss fields to observe spontaneous symmetry breakings, we show that either a color-density…
We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t_perp and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t_perp for any value of …
We study the ground state of the Hubbard model on a square lattice with two degenerate orbitals per site and at integer fillings as a function of onsite Hubbard repulsion $U$ and Hund's intra-atomic exchange coupling $J$. We use a variational slave-spin mean field (VSSMF) method which allows symmetry broken states to be studied within the computationally less intensive slave-spin mean field formalism, thus making the method more powerful to study strongly correlated electron physics. The results show that at half-filling, the ground state at smaller $U$ is a Slater antiferromagnet (AF) with su…
We apply the dual fermion approach with a second-order approximation to the self-energy to the Mott transition in the two-dimensional Hubbard model. The approximation captures nonlocal dynamical short-range correlations as well as several features observed in studies using cluster dynamical mean-field theory. This includes a strong reduction of the critical interaction and inversion of the slope of the transition lines with respect to single-site dynamical mean-field theory. We show that these effects coincide with a much smaller momentum differentiation compared to cluster methods. We further…
Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the numerical renormalization group as a real-frequency impurity solver for a dynamical mean-field study of three-orbital Hubbard models, where a crystal field shifts one orbital in energy. The individual phases are characterized with dynamic correlation functions and their relation to diverse Kondo temperatures. Upon approaching the orbital-selective Mott transi…
A mechanism of Mott transitions in a Bose Hubbard model on a square lattice is studied, using a variational Monte Carlo method. Besides an onsite correlation factor, we introduce a four-body doublon-holon factor into the trial state, which considerably improves the variational energy and can appropriately describe a superfluid-insulator transition. Its essense consists in binding (and unbinding) of a doublon to a holon in a finite short range, identical with the cases of fermions. The features of this transition are qualitatively different from those of Brinkman-Rice-type transitions.
The two-orbital Hubbard model on a square lattice at quarter filling (electron number per site $n=1$) is investigated by the variational Monte Carlo method. For the variational wave function, we include short-range doublon-holon binding factors. We find that the energy of this wave function is lower than that of the density-density Jastrow wave function partially including long-range correlations used in a previous study. We introduce frustration to the model by the next-nearest-neighbor hopping $t'$ in addition to the nearest-neighbor hopping $t$. For $t'=0$, a ferromagnetic state with stagge…
The variational cluster approach (VCA) is applied to the one-dimensional Hubbard model at zero temperature using clusters (chains) of up to ten sites with full diagonalization and the Lanczos method as cluster solver. Within the framework of the self-energy-functional theory (SFT), different cluster reference systems with and without bath degrees of freedom, in different topologies and with different sets of variational parameters are considered. Static and one-particle dynamical quantities are calculated for half-filling as a function of U as well as for fixed U as a function of the chemical …
Convolutional restricted Boltzmann machine (CRBM) correlated variational wave function for the Hubbard model on a square lattice: Mott metal-insulator transition
本文利用卷积受限玻尔兹曼机构造 Hubbard 模型的变分波函数，通过变分蒙特卡洛研究半填充方格模型，发现其优于长程反流波函数，并揭示了随 U 增大发生的 Mott 金属-绝缘体转变及自发反铁磁序。
We study the interplay between electron correlation and disorder in the two-dimensional Hubbard model at half-filling by means of a variational wave function that can interpolate between Anderson and Mott insulators. We give a detailed description of our improved variational state and explain how the physics of the Anderson-Mott transition can be inferred from equal-time correlations functions, which can be easily computed within the variational Monte Carlo scheme. The ground-state phase diagram is worked out in both the paramagnetic and the magnetic sector. Whereas in the former a direct seco…
A half-filled-band Hubbard model on an anisotropic triangular lattice (t in two bond directions and t' in the other) is studied using an optimization variational Monte Carlo method, to consider the Mott transition and superconductivity arising in κ-BEDT-TTF_2X. Adopting wave functions with doublon-holon binding factors, we reveal that a first-order Mott (conductor-to-nonmagnetic insulator) transition takes place at U=U_c approximately of the band width, for a wide range of t'/t. This transition is not directly connected to magnetism. Robust d-wave superconductivity appears in a restricted para…
Convergence properties of the variational cluster approach with respect to the variational parameter space, cluster size, and boundary conditions of the reference system are investigated and discussed for bosonic many-body systems. Specifically, the variational cluster approach is applied to the one-dimensional Bose-Hubbard model, which exhibits a quantum phase transition from Mott to superfluid phase. In order to benchmark the variational cluster approach, results for the phase boundary delimiting the first Mott lobe are compared with essentially exact density matrix renormalization group dat…
Superconducting mechanism of cuprates is discussed in the light of the proximity of the Mott insulator. The proximity accompanied by suppression of coherence takes place in an inhomogeneous way in the momentum space in finite-dimensional systems. Studies on instabilities of metals consisted of such differentiated electrons in the momentum space are reviewed from a general point of view. A typical example of the differentiation is found in the flattening of the quasiparticle dispersion discovered around momenta $(π,0)$ and $(0,π)$ on 2D square lattices. This flattening even controls the critica…
The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region…
We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition from a paramagnetic metal into a non-magnetic Peierls, or valence-bond, Mott insulator. We analyze this model by means of our Gutzwiller wavefunction analytically in the limit of large coordination lattices, where we find that: (1) the Mott transition is first order; (2) the Peierls gap is large in the Mott insulator, although it is mainly contributed by the el…
Using variational cluster approach, we study influence of frustration and dimensionality on magnetic properties in the ground state of Hubbard model on a stacked square lattice in the large $U$ region (U/t=10), by changing the next-nearest-neighbor hopping, $t^{\prime}$, and the interlayer hopping, $t_{\perp}$. For small $t_{\perp}<t^{\ast}_{\perp}$ with $t^{\ast}_{\perp}/t{\approx}0.44$, antiferromagnetic long-range order appears at small $t^{\prime}<t^{\prime}_{c_{1}}$, and collinear magnetic long-range order at large $t^{\prime}>t^{\prime}_{c_{2}}$. They are separated by a paramagnetic Mott…
Gutzwiller variational method is applied to an effective two-dimensional Hubbard model to examine the recently proposed gossamer superconductor by Laughlin. The ground state at half filled electron density is a gossamer superconductor for smaller intra-site Coulomb repulsion U and a Mott insulator for larger U. The gossamer superconducting state is similar to the resonant valence bond superconducting state, except that the chemical potential is approximately pinned at the mid of the two Hubbard bands away from the half filled.
We investigate the role of the bandwidth difference in the Mott metal-insulator transition of a two-band Hubbard model in the limit of infinite dimensions, by means of a Gutzwiller variational wave function as well as by dynamical mean-field theory. The variational calculation predicts a two-stage quenching of the charge degrees of freedom, in which the narrower band undergoes a Mott transition before the wider one, both in the presence and in the absence of a Hund's exchange coupling. However, this scenario is not fully confirmed by the dynamical mean-field theory calculation, which shows tha…
The magnetic properties and Mott transition of the half-filled Hubbard model on the 1/5 depleted square lattice with frustration is studied at zero temperature by the variational cluster approximation. The $(π,π)$ Néel ordering (AF) is stable in a wide region of the phase diagram and almost completely veils the non-magnetic Mott transition for the unfrustrated case. However, AF is severely suppressed by the frustration and even with moderate frustrations the non-magnetic Mott transition takes place in the range where the intra-dimer hoppings are larger than the intra-plaquette hoppings.
Modification of interatomic distances due to high pressure leads to exotic phenomena, including metallicity, superconductivity and magnetism, observed in materials not showing such properties in normal conditions. In two-dimensional crystals, such as graphene, atomic bond lengths can be modified by more that 10 percent by applying in-plane strain, i.e., without generating high pressure in the bulk. In this work, we study the strain-induced Mott transition on a honeycomb lattice by using computationally inexpensive techniques, including Gutzwiller Wave Function (GWF) and different variants of G…
We show that the Mott transition occurring in bosonic Hubbard models can be successfully described by a simple variational wave function that contains all important long-wavelength correlations. Within this approach, a smooth metal-insulator transition is made possible by means of a long-range Jastrow correlation term that binds in real space density fluctuations. We find that the Mott transition has similar properties in two and three dimensions but differs in one dimension. We argue that our description of the Mott transition in terms of a binding-unbinding transition is of general validity …
The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Néel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in …
We investigate the nature of the interaction-driven Mott-Hubbard transition of the half-filled $t_1{-}t_2$ Hubbard model in one dimension, using a full-fledged variational Monte Carlo approach including a distance-dependent Jastrow factor and backflow correlations. We present data for the evolution of the magnetic properties across the Mott-Hubbard transition and on the commensurate to incommensurate transition in the insulating state. Analyzing renormalized excitation spectra, we find that the Fermi surface renormalizes to perfect nesting right at the Mott-Hubbard transition in the insulating…
The self-energy-functional approach proposed recently is applied to the single-band Hubbard model at half-filling to study the Mott-Hubbard metal-insulator transition within the most simple but non-trivial approximation. This leads to a mean-field approach which is interesting conceptually: Trial self-energies from a two-site single-impurity Anderson model are used to evaluate an exact and general variational principle. While this restriction of the domain of the functional represents a strong approximation, the approach is still thermodynamically consistent by construction and represents a co…
We study the ground state properties of spin-1 bosons in a two-dimensional optical lattice, by applying a variational Monte Carlo method to the S=1 Bose-Hubbard model on a square lattice at unit filling. A doublon-holon binding factor introduced in the trial state provides a noticeable improvement in the variational energy over the conventional Gutzwiller wave function and allows us to deal effectively with the inter-site correlations of particle densities and spins. We systematically show how spin-dependent interactions modify the superfluid-Mott insulator transitions in the S=1 Bose-Hubbard …
The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson technique. At half-filling, mean-field static quantities are in good agreement with the results obtained by numerical techniques. By taking into account gaussian fluctuations, an analytic expression of the spectral density is derived in the Mott insulating phase showing that an increase of the electron-phonon coupling leads to a sensitive reduction of the Mott gap…
We study roles of electron correlations on topological insulators on the honeycomb lattice with the spin-orbit interaction. Accurate variational Monte Carlo calculations show that the increasing on-site Coulomb interactions cause a strong suppression of the charge Drude weight in the helical-edge metallic states leading to a presumable Mott transition from a conventional topological insulator to an edge Mott insulator before a transition to a bulk antiferromagnetic insulator. The intermediate bulk-topological and edge-Mott-insulator phase has a helical spin-liquid character with the protected …
Based on a microscopic theoretical study, we show that novel superconductivity is induced by carrier doping in layered perovskite Ir oxides where a strong spin-orbit coupling causes an effective total angular momentum J_{eff}=1/2 Mott insulator. Using a variational Monte Carlo method, we find an unconventional superconducting state in the ground state phase diagram of a t_{2g} three-orbital Hubbard model on the square lattice. This superconducting state is characterized by a d_{x^2-y^2}-wave "pseudospin singlet" formed by the J_{eff}=1/2 Kramers doublet, which thus contains inter-orbital as we…
The exact diagonalization and the variational cluster approximation (VCA) are used to study the nature of a novel Mott insulator induced by a strong spin-orbit coupling for a two-dimensional three-band Hubbard model consisting of the $t_{2g}$ manifold of $5d$ orbitals. To characterize the ground state, we introduce a local Kramer's doublet which can represent a state with effective angular momentum $J_{\rm eff}=|{\bm S}-{\bm L}|=1/2$ as well as spin $S=1/2$. Our systematic study of the pseudo-spin structure factor defined by the Kramer's doublet shows that the $J_{\rm eff}=1/2$ Mott insulator …
We study the role of electronic correlation in a disordered two-dimensional model by using a variational wave function that can interpolate between Anderson and Mott insulators. Within this approach, the Anderson-Mott transition can be described both in the paramagnetic and in the magnetic sectors. In the latter case, we find evidence for the formation of local magnetic moments that order before the Mott transition. The charge gap opening in the Mott insulator is accompanied by the vanishing of the $\lim_{q\to 0} \overline{< n_q>< n_{-q}>}$ (the bar denoting the impurity average), which is rel…
We have studied the impact of non-local electronic correlations at all length scales on the Mott-Hubbard metal-insulator transition in the unfrustrated two-dimensional Hubbard model. Combining dynamical vertex approximation, lattice quantum Monte-Carlo and variational cluster approximation, we demonstrate that scattering at long-range fluctuations, i.e., Slater-like paramagnons, opens a spectral gap at weak-to-intermediate coupling -- irrespectively of the preformation of localized or short-ranged magnetic moments. This is the reason, why the two-dimensional Hubbard model is insulating at low …
Mott transition and ferrimagnetism are studied in the Hubbard model on the anisotropic kagomé lattice using the variational cluster approximation and the phase diagram at zero temperature and half-filling is analyzed. The ferrimagnetic phase rapidly grows as the geometric frustration is relaxed, and the Mott insulator phase disappears in moderately frustrated region, showing that the ferrimagnetic fluctuations stemming from the relaxation of the geometric frustration is enhanced by the electron correlations. In metallic phase, heavy fermion behavior is observed and mass enhancement factor is c…
The main flaw of the well-known Brinkman-Rice description, obtained through the Gutzwiller approximation, of the paramagnetic Mott transition in the Hubbard model is in neglecting high-energy virtual processes that generate for instance the antiferromagnetic exchange $J\sim t^2/U$. Here we propose a way to capture those processes by combining the Brinkman-Rice approach with a variational Schrieffer-Wolff transformation, and apply this method to study the single-band metal-to-insulator transition in a Bethe lattice with infinite coordination number, where the Gutzwiller approximation becomes ex…
