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arXiv:cond-mat/9611231 · Physical review. B, Condensed matter

Dynamics of the Hubbard model: A general approach by the time-dependent variational principle

Arianna Montorsi, Vittorio Penna

Published Apr 1, 1997• 15 citations
arXivHTMLPDF

Abstract

We describe the quantum dynamics of the Hubbard model at the semiclassical level, by implementing the time-dependent variational principle (TDVP) procedure on appropriate macroscopic wave functions constructed in terms of SU(2)-coherent states. Within the TDVP procedure, such states turn out to include a time-dependent quantum phase, part of which can be recognized as Berry's phase. We derive two semiclassical model Hamiltonians for describing the dynamics in the paramagnetic, superconducting, antiferromagnetic and charge-density wave phases and solve the corresponding canonical equations of motion in various cases. Noticeably, a vortexlike ground-state phase dynamics is found to take place for U>0 away from half filling. Moreover, it appears that an oscillatorylike ground-state dynamics survives at the Fermi surface at half filling for any U. The low-energy dynamics is also exactly solved by separating fast and slow variables. The role of the time-dependent phase is shown to be particularly interesting in the ordered phases.

DOI
10.1103/physrevb.55.8226

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We describe the quantum dynamics of the Hubbard model at the semiclassical level, by implementing the time-dependent variational principle (TDVP) procedure on appropriate macroscopic wave functions constructed in terms of SU(2)-coherent states. Within the TDVP procedure, such states turn out to include a time-dependent quantum phase, part of which can be recognized as Berry's phase. We derive two semiclassical model Hamiltonians for describing the dynamics in the paramagnetic, superconducting, antiferromagnetic and charge-density wave phases and solve the corresponding canonical equations of motion in various cases. Noticeably, a vortexlike ground-state phase dynamics is found to take place for U>0 away from half filling. Moreover, it appears that an oscillatorylike ground-state dynamics survives at the Fermi surface at half filling for any U. The low-energy dynamics is also exactly solved by separating fast and slow variables. The role of the time-dependent phase is shown to be particularly interesting in the ordered phases.
According to a recent proposal, we describe the quantum dynamics of the Hubbard model at the semiclassical level by implementing the Time-Dependent Variational Principle (TDVP) approach on appropriate macroscopic wave-functions constructed in terms of su(2)-coherent states. Within the TDVP procedure, such states turn out to include a time-dependent quantum phase, part of which can be recognized as Berry's phase. In particular, here we investigate the dynamics of the weakly excited states with non-vanishing pairing, away from half-filling and for repulsive Coulomb interaction.
We propose a scheme for investigating the quantum dynamics of interacting electron models by means of a time-dependent variational principle and spin coherent states of space lattice operators. We apply such a scheme to the one-dimensional Hubbard model, and solve the resulting equations in different regimes. In particular, we find that at low densities the dynamics is mapped into two coupled nonlinear Schr\"odinger equations, whereas near half-filling the model is described by two coupled Josephson-junction arrays. Focusing then to the case in which only the phases of the spin variables are dynamically active, we examine a number of different solutions corresponding to the excitations of few macroscopic modes. Based on fixed-point equations of the simpler among them, we show that the standard one-band ground-state phase space is found.
Recent refinements of analytical and numerical methods have improved our understanding of the ground-state phase diagram of the two-dimensional (2D) Hubbard model. Here, we focus on variational approaches, but comparisons with both quantum cluster and Gaussian Monte Carlo methods are also made. Our own ansatz leads to an antiferromagnetic ground state at half filling with a slightly reduced staggered order parameter (as compared to simple mean-field theory). Away from half filling, we find d-wave superconductivity, but confined to densities where the Fermi surface passes through the antiferromagnetic zone boundary (if hopping between both nearest-neighbour and next-nearest-neighbour sites is considered). Our results agree surprisingly well with recent numerical studies using the quantum cluster method. An interesting trend is found by comparing gap parameters Δ (antiferromagnetic or superconducting) obtained with different variational wave functions. Δ varies by an order of magnitude and thus cannot be taken as a characteristic energy scale. In contrast, the order parameter is much less sensitive to the degree of sophistication of the variational schemes, at least at and near half filling.
Quantum dynamics of the Bose-Hubbard model is investigated through a semiclassical Hamiltonian picture provided by the time-dependent variational principle method. The system is studied within a factorized slow/fast dynamics. The semiclassical requantization procedure allows one to account for the strong quantum nature of the system when $t/U\ensuremath{\ll}1$. The phase diagram is in good agreement with quantum Monte Carlo results and third order strong coupling perturbative expansion.
We systematically extend Bogoliubov theory beyond the mean-field approximation of the Bose-Hubbard model in the superfluid phase. Our approach is based on the time-dependent variational principle applied to the family of all Gaussian states (i.e., Gaussian TDVP). First, we find the best ground-state approximation within our variational class using imaginary time evolution in 1D, 2D, and 3D. We benchmark our results by comparing to Bogoliubov theory and DMRG in 1D. Second, we compute the approximate one- and two-particle excitation spectrum as eigenvalues of the linearized projected equations of motion (linearized TDVP). We find the gapless Goldstone mode, a continuum of two-particle excitations and a doublon mode. We discuss the relation of the gap between Goldstone mode and two-particle continuum to the excitation energy of the Higgs mode. Third, we compute linear response functions for perturbations describing density variation and lattice modulation and discuss their relations to experiment. Our methods can be applied to any perturbations that are linear or quadratic in creation/annihilation operators. Finally, we provide a comprehensive overview how our results are related to well-known methods, such as traditional Bogoliubov theory and random phase approximation.
To examine dynamical effects on the geometric phase at the semi-classical level, we apply the technique of the time-dependent variational principle to simple models which typically exhibit the geometric phase effects discovered by Berry, namely, the Jaynes-Cummings models and the generalized harmonic oscillator model. Parameters are themselves dynamical variables in our models. Instead of integrating out the “fast” variables at the first stage, we derive the canonical equations of motion both for “fast” and “slow” varibales without the adiabatic assumption. Using special solutions of the canonical equations, we requantize the systems by Einstein's condition, in which Berry's phase appearing as a correction for the Bohr-Sommerfeld condition is modified by the dynamical effects related to the slow degree of freedom.