Projected Gross-Pitaevskii equation for harmonically confined Bose gases at finite temperature

We extend the projected Gross-Pitaevskii equation formalism of Davis [Phys. Rev. Lett. 87, 160402 (2001)] to the experimentally relevant case of thermal Bose gases in harmonic potentials and outline a robust and accurate numerical scheme that can efficiently simulate this system. We apply this method to investigate the equilibrium properties of the harmonically trapped three-dimensional projected Gross-Pitaevskii equation at finite temperature and consider the dependence of condensate fraction, position, and momentum distributions and density fluctuations on temperature. We apply the scheme to simulate an evaporative cooling process in which the preferential removal of high-energy particles leads to the growth of a Bose-Einstein condensate. We show that a condensate fraction can be inferred during the dynamics even in this nonequilibrium situation.

Properties of the stochastic Gross-Pitaevskii equation: finite temperature Ehrenfest relations and the optimal plane wave representation

We present Ehrenfest relations for the high temperature stochastic Gross-Pitaevskii equation description of a trapped Bose gas, including the effect of growth noise and the energy cutoff. A condition for neglecting the cutoff terms in the Ehrenfest relations is found which is more stringent than the usual validity condition of the truncated Wigner or classical field method-that all modes are highly occupied. The condition requires a small overlap of the nonlinear interaction term with the lowest energy single particle state of the noncondensate band, and gives a means to constrain dynamical artefacts arising from the energy cutoff in numerical simulations. We apply the formalism to two simple test problems: (i) simulation of the Kohn mode oscillation for a trapped Bose gas at zero temperature, and (ii) computing the equilibrium properties of a finite temperature Bose gas within the classical field method. The examples indicate ways to control the effects of the cutoff, and that there is an optimal choice of plane wave basis for a given cutoff energy. This basis gives the best reproduction of the single particle spectrum, the condensate fraction and the position and momentum densities.

Microcanonical temperature for a classical field: Application to Bose-Einstein condensation

We show that the projected Gross-Pitaevskii equation (PGPE) can be mapped exactly onto Hamilton's equations of motion for classical position and momentum variables. Making use of this mapping, we adapt techniques developed in statistical mechanics to calculate the temperature and chemical potential of a classical Bose field in the microcanonical ensemble. We apply the method to simulations of the PGPE, which can be used to represent the highly occupied modes of Bose condensed gases at finite temperature. The method is rigorous, valid beyond the realms of perturbation theory, and agrees with an earlier method of temperature measurement for the same system. Using this method we show that the critical temperature for condensation in a homogeneous Bose gas on a lattice with a uv cutoff increases with the interaction strength. We discuss how to determine the temperature shift for the Bose gas in the continuum limit using this type of calculation, and obtain a result in agreement with more sophisticated Monte Carlo simulations. We also consider the behavior of the specific heat.

Anomalous Excitation Spectra of Frustrated Quantum Antiferromagnets

We use series expansions to study the excitation spectra of spin-1/2 antiferromagnets on anisotropic triangular lattices. For the isotropic triangular lattice model (TLM), the high-energy spectra show several anomalous features that differ strongly from linear spin-wave theory (LSWT). Even in the Neel phase, the deviations from LSWT increase sharply with frustration, leading to rotonlike minima at special wave vectors. We argue that these results can be interpreted naturally in a spinon language and provide an explanation for the previously observed anomalous finite-temperature properties of the TLM. In the coupled-chains limit, quantum renormalizations strongly enhance the one-dimensionality of the spectra, in agreement with experiments on Cs2CuCl4.

Excitation spectra of the spin-1/2 triangular-lattice Heisenberg antiferromagnet

We use series expansion methods to calculate the dispersion relation of the one-magnon excitations for the spin-(1)/(2) triangular-lattice nearest-neighbor Heisenberg antiferromagnet above a three-sublattice ordered ground state. Several striking features are observed compared to the classical (large-S) spin-wave spectra. Whereas, at low energies the dispersion is only weakly renormalized by quantum fluctuations, significant anomalies are observed at high energies. In particular, we find rotonlike minima at special wave vectors and strong downward renormalization in large parts of the Brillouin zone, leading to very flat or dispersionless modes. We present detailed comparison of our calculated excitation energies in the Brillouin zone with the spin-wave dispersion to order 1/S calculated recently by Starykh, Chubukov, and Abanov [Phys. Rev. B74, 180403(R) (2006)]. We find many common features but also some quantitative and qualitative differences. We show that at temperatures as low as 0.1J the thermally excited rotons make a significant contribution to the entropy. Consequently, unlike for the square lattice model, a nonlinear sigma model description of the finite-temperature properties is only applicable at temperatures < 0.1J. Finally, we review recent NMR measurements on the organic compound kappa-(BEDT-TTF)(2)Cu-2(CN)(3). We argue that these are inconsistent with long-range order and a description of the low-energy excitations in terms of interacting magnons, and that therefore a Heisenberg model with only nearest-neighbor exchange does not offer an adequate description of this material.

Gaussian quantum Monte Carlo methods for fermions and bosons

We introduce a new class of quantum Monte Carlo methods, based on a Gaussian quantum operator representation of fermionic states. The methods enable first-principles dynamical or equilibrium calculations in many-body Fermi systems, and, combined with the existing Gaussian representation for bosons, provide a unified method of simulating Bose-Fermi systems. As an application relevant to the Fermi sign problem, we calculate finite-temperature properties of the two dimensional Hubbard model and the dynamics in a simple model of coherent molecular dissociation.

Quantum phase-space simulations of fermions and bosons

We introduce a unified Gaussian quantum operator representation for fermions and bosons. The representation extends existing phase-space methods to Fermi systems as well as the important case of Fermi-Bose mixtures. It enables simulations of the dynamics and thermal equilibrium states of many-body quantum systems from first principles. As an example, we numerically calculate finite-temperature correlation functions for the Fermi Hubbard model, with no evidence of the Fermi sign problem. (c) 2005 Elsevier B.V. All rights reserved.

Ultra-cold fermions in optical lattices

We summarize recent theoretical results for the signatures of strongly correlated ultra-cold fermions in optical lattices. In particular, we focus on collective mode calculations, where a sharp decrease in collective mode frequency is predicted at the onset of the Mott metal-insulator transition; and correlation functions at finite temperature, where we employ a new exact technique that applies the stochastic gauge technique with a Gaussian operator basis.

Universality of quantum critical dynamics in a planar optical parametric oscillator

We analyze the critical quantum fluctuations in a coherently driven planar optical parametric oscillator. We show that the presence of transverse modes combined with quantum fluctuations changes the behavior of the quantum image critical point. This zero-temperature nonequilibrium quantum system has the same universality class as a finite-temperature magnetic Lifshitz transition.

BCS-BEC crossover in an asymmetric two-component Fermi gas

We discuss the superfluid phase transition of a strongly interacting Fermi gas with unequal ( asymmetric) chemical potentials in two pairing hyperfine states, and map out its phase diagram near the BCS-BEC crossover. Our approach includes the fluctuation contributions of preformed Cooper pairs to the thermodynamic potential at finite temperature. We show that, below a critical difference in chemical potentials between species, a normal gas is unstable towards the formation of either a finite-momentum paired Fulde-Ferrell-Larkin-Ovchinnikov superconducting phase or a uniform superfluid, depending on the asymmetry and interaction strengths. We determine the value of critical chemical potential mismatch, and find that it is consistent with a recent measurement by Zwierlein et al. ( Science, 311 ( 2006) 492).

Equation of state of a superfluid Fermi gas in the BCS-BEC crossover

We present a theory for a superfluid Fermi gas near the BCS-BEC crossover, including pairing fluctuation contributions to the free energy similar to that considered by Nozieres and Schmitt-Rink for the normal phase. In the strong coupling limit, our theory is able to recover the Bogoliubov theory of a weakly interacting Bose gas with a molecular scattering length very close to the known exact result. We compare our results with recent Quantum Monte Carlo simulations both for the ground state and at finite temperature. Excellent agreement is found for all interaction strengths where simulation results are available.

Temperature of a trapped unitary Fermi gas at finite entropy

We present theoretical predictions for the equation of state of a harmonically trapped Fermi gas in the unitary limit. Our calculations compare Monte Carlo results with the equation of state of a uniform gas using three distinct perturbation schemes. We show that in experiments the temperature can be usefully calibrated by making use of the entropy, which is invariant during an adiabatic conversion into the weakly interacting limit of molecular BEC. We predict the entropy dependence of the equation of state.