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Molecular Physics

Adiabatic molecular dynamics: two-body and many-body aspects

Y. B. Band, Igor Tikhonenkov, Amichay Vardi

Published Feb 1, 2008• 6 citations
Publisher

Abstract

We compare various types of adiabatic dynamics that occur during atomic collisions and molecular dynamics. Born–Oppenheimer and non-adiabatic effects in molecular dynamics are contrasted with the time-dependent Landau–Zener transition problem for transitions that occur when a parameter in the Hamiltonian is varied slowly, and these are contrasted with the coherent many-body transitions that occur for a degenerate gas of atoms when an external parameter is tuned slowly near a Feshbach resonance to create loosely bound molecules. Analysis of an adiabatic sweep through a Feshbach resonance in a quantum gas of fermionic atoms shows that the dependence of the remaining atomic fraction on the sweep rate α varies from exponential Landau–Zener behaviour for a single pair of particles to a power-law dependence for large particle number N.

DOI
10.1080/00268970701823198

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The use of Feshbach resonances in the field of ultracold gases has received a lot of attention recently. In first instance it was realized that these resonances can be used to alter the interaction strength in an atomic gas, by means of tuning an external magnetic field. Furthermore, by sweeping the magnetic field from one side of the resonance to the other, a degenerate gas of bosonic molecules can be created, a significant accomplishment. By making the interactions between fermionic atoms strongly attractive, a fermionic superfluid was recently made, a feat that has drawn a lot of attention in the physics community and from the media. We present work that describes these many-particle systems near a Feshbach resonance in a comprehensive way by using the concept of dressed molecules. These dressed molecules are essentially two-particle states that are a superposition of a tightly bound bare molecule, and two unbound bare atoms. This description reduces to the correct paired wave-function in the two-body limit. Moreover it gives a physically correct description of all the phenomena mentioned above: the Bose-condensation of a gas near a Feshbach resonance, that contains molecules, is more correctly interpreted as a Bose-condensation of dressed molecules. The fermionic superfluid contains a condensate of bosonic pairs, normally called Cooper pairs, that can be understood as the dressed molecules. For the latter case, the dressed-molecule picture also gives an elegant characterization of the crossover between a Bose condensate of pure molecules on one side of the resonance, to a fermionic Bardeen-Cooper-Schrieffer superfluid on the other side. Then, the dressed molecules change continuously from being mostly a bare molecule, to being mostly a loose pair of two atoms. It is clear that the nature of the dressed molecules is much determined by the probability for it to be in the bare-molecular state. This probability we denote with a single parameter Z. We present various ways of calculating it, and study how it affects the macroscopic physics.

•Feb 7, 2007•1 citation
We compare various types of adiabatic dynamics that occur during atomic collisions and molecular dynamics. Born–Oppenheimer and non-adiabatic effects in molecular dynamics are contrasted with the time-dependent Landau–Zener transition problem for transitions that occur when a parameter in the Hamiltonian is varied slowly, and these are contrasted with the coherent many-body transitions that occur for a degenerate gas of atoms when an external parameter is tuned slowly near a Feshbach resonance to create loosely bound molecules. Analysis of an adiabatic sweep through a Feshbach resonance in a quantum gas of fermionic atoms shows that the dependence of the remaining atomic fraction on the sweep rate α varies from exponential Landau–Zener behaviour for a single pair of particles to a power-law dependence for large particle number N.
The dynamics of an adiabatic sweep through a Feshbach resonance in a degenerate quantum gas of fermionic atoms to produce a degenerate quantum gas of diatomic molecules are studied using many-body and mean-field methods. We demonstrate that the dependence of the remaining fraction of atoms Γ on sweep rate α varies from exponential Landau–Zener behaviour for a single pair of particles, to a power-law dependence for a large number of atoms, N. Two different power-law behaviours are obtained depending on the initial molecular fraction. The two different regimes are described in terms of quantum fluctuations: a linear power-law, Γ∝α, is obtained when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and Γ∝α1/3 when it is larger.
We study the dynamics of an adiabatic sweep through a Feshbach resonance in a quantum gas of fermionic atoms. Analysis of the dynamical equations, supported by mean-field and many-body numerical results, shows that the dependence of the remaining atomic fraction Gamma on the sweep rate alpha varies from exponential Landau-Zener behavior for a single pair of particles to a power-law dependence for large particle number N. The power law is linear, Gamma is proportional to alpha, when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and Gamma is proportional to alpha(1/3) when it is larger. Experimental data agree well with a linear dependence, but do not conclusively rule out the Landau-Zener model.
We consider dynamics of a slowly time-dependent Dicke model, which represents a many-body generalization of the Landau-Zener model. In particular, the model describes narrow Feshbach resonance passage in an ultracold gas of Fermi atoms. Adiabaticity is destroyed when a parameter crosses a critical value, even at very slow sweeping rates of a parameter. The dynamics crucially depends on direction of the sweep. We apply our recent analysis (A. P. Itin and P. T\"orm\"a, e-print arXiv:0901.4778) to the ``inverse'' sweep through the resonance, corresponding (in a context of Feshbach resonance passage) to dissociation of molecules. On a level of the mean-field approximation, the dynamics is equivalent to a molecular condensate formation from Bose atoms within a two-mode model. Mapping the system to a Painlev\'e equation allows us to calculate deviation from adiabaticity at very slow sweeps analytically.
We theoretically study the dynamics of an adiabatic sweep through a Feshbach resonance, thereby converting a degenerate quantum gas of fermionic atoms into a degenerate quantum gas of bosonic dimers. Our analysis relies on a zero temperature mean-field theory which accurately accounts for initial molecular quantum fluctuations, triggering the association process. The structure of the resulting semiclassical phase space is investigated, highlighting the dynamical instability of the system towards association, for sufficiently small detuning from resonance. It is shown that this instability significantly modifies the finite-rate efficiency of the sweep, transforming the single-pair exponential Landau-Zener behavior of the remnant fraction of atoms $\ensuremath{\Gamma}$ on sweep rate $\ensuremath{\alpha}$, into a power-law dependence as the number of atoms increases. The obtained nonadiabaticity is determined from the interplay of characteristic time scales for the motion of adiabatic eigenstates and for fast periodic motion around them. Critical slowing-down of these precessions near the instability leads to the power-law dependence. A linear power law $\ensuremath{\Gamma}\ensuremath{\propto}\ensuremath{\alpha}$ is obtained when the initial molecular fraction is smaller than the 1∕N1∕N1∕N quantum fluctuations, and a cubic-root power law $\ensuremath{\Gamma}\ensuremath{\propto}{\ensuremath{\alpha}}^{1∕3}$ is attained when it is larger. Our mean-field analysis is confirmed by exact calculations, using Fock-space expansions. Finally, we fit experimental low temperature Feshbach sweep data with a power-law dependence. While the agreement with the experimental data is well within experimental error bars, similar accuracy can be obtained with an exponential fit, making additional data highly desirable.
We consider dynamics of Dicke models, with and without counterrotating terms, under slow variations of parameters which drive the system through a quantum phase transition. The model without counterrotating terms and sweeped detuning is seen in the contexts of a many-body generalization of the Landau-Zener model and the dynamical passage through a second-order quantum phase transition (QPT). Adiabaticity is destroyed when the parameter crosses a critical value. Applying semiclassical analysis based on concepts of classical adiabatic invariants and mapping to the second Painleve equation (PII), we derive a formula which accurately describes particle distributions in the Hilbert space at wide range of parameters and initial conditions of the system. We find striking universal features in the particle distributions which can be probed in an experiment on Feshbach resonance passage or a cavity QED experiment. The dynamics is found to be crucially dependent on the direction of the sweep. The model with counterrotating terms has been realized recently in an experiment with ultracold atomic gases in a cavity. Its semiclassical dynamics is described by a Hamiltonian system with two degrees of freedom. Passage through a QPT corresponds to passage through a bifurcation, and can also be described by PII (after averaging over fast variables), leading to similar universal distributions. Under certain conditions, the Dicke model is reduced to the Lipkin-Meshkov-Glick model.
The use of Feshbach resonances in the field of ultracold gases has received a lot of attention recently. In first instance it was realized that these resonances can be used to alter the interaction strength in an atomic gas, by means of tuning an external magnetic field. Furthermore, by sweeping the magnetic field from one side of the resonance to the other, a degenerate gas of bosonic molecules can be created, a significant accomplishment. By making the interactions between fermionic atoms strongly attractive, a fermionic superfluid was recently made, a feat that has drawn a lot of attention in the physics community and from the media. We present work that describes these many-particle systems near a Feshbach resonance in a comprehensive way by using the concept of dressed molecules. These dressed molecules are essentially two-particle states that are a superposition of a tightly bound bare molecule, and two unbound bare atoms. This description reduces to the correct paired wave-function in the two-body limit. Moreover it gives a physically correct description of all the phenomena mentioned above: the Bose-condensation of a gas near a Feshbach resonance, that contains molecules, is more correctly interpreted as a Bose-condensation of dressed molecules. The fermionic superfluid contains a condensate of bosonic pairs, normally called Cooper pairs, that can be understood as the dressed molecules. For the latter case, the dressed-molecule picture also gives an elegant characterization of the crossover between a Bose condensate of pure molecules on one side of the resonance, to a fermionic Bardeen-Cooper-Schrieffer superfluid on the other side. Then, the dressed molecules change continuously from being mostly a bare molecule, to being mostly a loose pair of two atoms. It is clear that the nature of the dressed molecules is much determined by the probability for it to be in the bare-molecular state. This probability we denote with a single parameter Z. We present various ways of calculating it, and study how it affects the macroscopic physics.