The ultimate regularity of quantum mechanics creates a tension with the assumption of classical chaos used in many of our pictures of chemical reaction dynamics. Out-of-time-order correlators (OTOCs) provide a quantum analog to the Lyapunov exponents that characterize classical chaotic motion. Maldacena, Shenker, and Stanford have suggested a fundamental quantum bound for the rate of information scrambling, which resembles a limit suggested by Herzfeld for chemical reaction rates. Here, we use OTOCs to study model reactions based on a double-well reaction coordinate coupled to anharmonic oscillators or to a continuum oscillator bath. Upon cooling, as one enters the tunneling regime where the reaction rate does not strongly depend on temperature, the quantum Lyapunov exponent can approach the scrambling bound and the effective reaction rate obtained from a population correlation function can approach the Herzfeld limit on reaction rates: Tunneling increases scrambling by expanding the state space available to the system. The coupling of a dissipative continuum bath to the reaction coordinate reduces the scrambling rate obtained from the early-time OTOC, thus making the scrambling bound harder to reach, in the same way that friction is known to lower the temperature at which thermally activated barrier crossing goes over to the low-temperature activationless tunneling regime. Thus, chemical reactions entering the tunneling regime can be information scramblers as powerful as the black holes to which the quantum Lyapunov exponent bound has usually been applied.
Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the quantum analog of the Lyapunov coefficient that describes the timescale on which a classical chaotic system becomes scrambled. OTOCs have been applied only to a very limited number of toy models, such as the Sachdev-Ye-Kitaev model connected with black hole information scrambling, but they could find much wider applicability for information scrambling in quantum systems that allow comparison with experiments. The vibrations of polyatomic molecules are known to undergo a transition from regular dynamics at low energy to facile energy flow at sufficiently high energy. Molecules therefore represent ideal quantum systems to study scrambling in many-body systems of moderate size (here 6 to 36 degrees of freedoms). By computing quantum OTOCs and their classical counterparts we quantify how information becomes ``scrambled'' quantum mechanically in molecular systems. Between early ``ballistic'' dynamics, and late ``saturation'' of the OTOC when the full density of states is explored, there is indeed a regime where a quantum Lyapunov coefficient can be defined for all molecules in this study. Comparison with experimental rate data shows that slow scrambling as measured by the OTOC can reach the timescale of molecular reaction dynamics. Even for the smallest molecules we discuss, the Maldacena bound remains satisfied by regularized OTOCs, but not by unregularized OTOCs, highlighting that the former are more useful for discussing information scrambling in this type of moderate-size quantum system.
Out-of-Time-Ordered Commutators (OTOCs), representing a key diagnostic for scrambling as a facet of short-time quantum chaos, have attracted wide-ranging interest, from many-body physics to quantum gravity. By means of a suitable form of the Wigner-Moyal expansion, and invoking ensemble equivalence in statistical physics, we provide a consistent approach to the growth rate of the OTOC for many-body systems with chaotic classical limit where both the classical Lyapunov exponent and the quantum nature of the density of states enter. Applying this construction to quantized high-dimensional hyperbolic motion, i.e., a quantum chaotic system that exhibits gravity-like correlation functions in the late-time regime, we compute the OTOC growth rate
Λ as a function of the number of degrees of freedom,
f, and inverse temperature,
β.
We show that the scaled growth rate,
Λ/f, can be described by a universal function of
fβ and displays a cross-over from classical to quantum behavior as we increase
f and/or lower the temperature. In the deep quantum regime of infinite
f, we find maximally fast scrambling in the sense of the Maldacena-Shenker-Stanford bound on chaos. This elucidates the non-perturbative mechanism underlying the saturation of the bound via quantum contributions to the mean density of states, and it provides further support for this dynamical system as a dual to two-dimensional quantum gravity. In this way, we present first evidence of maximally fast scrambling in a quantum chaotic system with a well-defined classical Hamiltonian limit, without invoking any external mechanism such as (disorder) averaging.
Out-of-Time-Ordered Commutators (OTOCs), representing a key diagnostic for scrambling as a facet of short-time quantum chaos, have attracted wide-ranging interest, from many-body physics to quantum gravity. By means of a suitable form of the Wigner-Moyal expansion, and invoking ensemble equivalence in statistical physics, we provide a consistent approach to the growth rate of the OTOC for many-body systems with chaotic classical limit where both the classical Lyapunov exponent and the quantum nature of the density of states enter. Applying this construction to quantized high-dimensional hyperbolic motion, i.e., a quantum chaotic system that exhibits gravity-like correlation functions in the late-time regime, we compute the OTOC growth rate Λ as a function of the number of degrees of freedom, f, and inverse temperature, β. We show that the scaled growth rate, Λ/f, can be described by a universal function of fβ and displays a cross-over from classical to quantum behavior as we increase f and/or lower the temperature. In the deep quantum regime of infinite f, we find maximally fast scrambling in the sense of the Maldacena-Shenker-Stanford bound on chaos. This elucidates the non-perturbative mechanism underlying the saturation of the bound via quantum contributions to the mean density of states, and it provides further support for this dynamical system as a dual to two-dimensional quantum gravity. In this way, we present first evidence of maximally fast scrambling in a quantum chaotic system with a well-defined classical Hamiltonian limit, without invoking any external mechanism such as (disorder) averaging.
The rate at which information scrambles in a quantum system can be quantified using out-of-time-ordered correlators. A remarkable prediction is that the associated Lyapunov exponent λ that quantifies the scrambling rate in chaotic systems obeys a universal bound λ < 2πkBT/h. Previous numerical and analytical studies have indicated that this bound has a quantum-statistical origin. Here, we use path-integral techniques to show that a minimal theory to reproduce this bound involves adding contributions from quantum thermal fluctuations (describing quantum tunneling and zero-point energy) to classical dynamics. By propagating a model quantum-Boltzmannconserving classical dynamics for a system with a barrier, we show that the bound is controlled by the stability of thermal fluctuations around the barrier instanton (a delocalized structure which dominates the tunneling statistics). This stability requirement appears to be general, implying that there is a close relation between the formation of instantons, or related delocalized structures, and the imposition of the quantum-chaos bound.
The rate at which information scrambles in a quantum system can be quantified using out-of-time-ordered correlators. A remarkable prediction is that the associated Lyapunov exponent [Formula: see text] that quantifies the scrambling rate in chaotic systems obeys a universal bound [Formula: see text]. Previous numerical and analytical studies have indicated that this bound has a quantum-statistical origin. Here, we use path-integral techniques to show that a minimal theory to reproduce this bound involves adding contributions from quantum thermal fluctuations (describing quantum tunneling and zero-point energy) to classical dynamics. By propagating a model quantum-Boltzmann-conserving classical dynamics for a system with a barrier, we show that the bound is controlled by the stability of thermal fluctuations around the barrier instanton (a delocalized structure which dominates the tunneling statistics). This stability requirement appears to be general, implying that there is a close relation between the formation of instantons, or related delocalized structures, and the imposition of the quantum-chaos bound.
In the study of quantum chaos, `out of time ordered correlators' (OTOCs) are commonly used to quantify the rate at which quantum information is scrambled. This rate has been conjectured by Maldecena et al. to obey a universal, temperature dependent bound. Recent studies have shown that instantons, delocalised structures that dominate tunnelling statistics over barriers, reduce the growth rate of OTOCs. For the case of the symmetric double well, this reduction ensures the bound is maintained for OTOCs generated using ring polymer molecular dynamics (RPMD), a method with approximate dynamics but exact quantum statistics. In this report we set out to further understand the role of the instanton in the enforcement of the Maldacena bound and test whether RPMD is sufficient to satisfy the bound. We also investigate the impact of coherence on the flattening of of OTOCs by contrasting bounded with scattering systems. For the scattering system we observe a significantly smaller OTOC growth rate than that of the analogous bounded system, and a flattening in growth rate as time progresses. We attribute the first effect to influence of the Boltzmann operator, and the second to interference caused by anharmonicity of the potential. In our studies of RPMD, we find counterexamples showing that it is not sufficient to satisfy the bound. We develop a theory for OTOCs using (analytically-continued) Matsubara dynamics, revealing significantly different dynamical behaviour around the instanton compared to the predictions of RPMD. The instanton is found to be stationary in all coordinates but its collective angle
Φ0, and fluctuations about it no longer resemble that of classical dynamics on a first order saddle as in RPMD.