It is shown, by considering the case of the harmonic oscillator, that quantum fluctuations may be the most significant contribution to the random walk of a single molecule. From this point, the controversy on the existence of a standard quantum limit (SQL) is addressed and settled on the experimental ground. Comparisons to the experimental data yet avalaible in the literature provide a new estimate of the reduced Planck constant yielding \hbar = (1.1 \pm 0.2) ~ 10^{-34} J.s.
We study the effect of decoherence on the sub-Planck scale structures of the vibrational wave packet of a molecule. The time evolution of these wave packets is investigated under the influence of a photonic or phononic environment. We determine the master equation describing the reduced dynamics of the wave-packet and analyze the sensitivity of the sub-Planck structures against decoherence in the case of a hydrogen iodide (HI) molecule.
We propose an implementation scheme for the continuous-time quantum walk using a diatomic molecule and an optical frequency comb. We show an analogy between the quantum walk and the cascade rotational transitions induced by the optical frequency comb whose frequency peaks are tuned to the pure rotational transitions in the molecule. The strategy to compensate for the centrifugal distortion of the real molecule is also demonstrated.
We study hybrid atom-molecule quantum walks in one-dimensional optical lattices with two interacting bosonic atoms which may be converted into a molecule. The hybrid atom-molecule energy bands include a continuum band and two isolated bands, which respectively correspond to scattering states and dressed bound states (DBS's). Because of the atom-molecule coupling, the DBS's may appear even in the absence of atom-atom interaction. From an initial state of two atoms occupying the same site, in addition to independent quantum walks which correspond to scattering states, correlated quantum walks ap…
We investigate a system of two atoms in an optical lattice, performing a quantum walk by state-dependent shift operations and a coin operation acting on the internal states. The atoms interact, e.g., by cold collisions, whenever they are in the same potential well of the lattice. Under such conditions they typically develop a bound state, so that the two atoms effectively perform a quantum walk together, rarely moving further from each other than a few lattice sites. The theoretical analysis is based on a theory of quantum walks with a point defect, applied to the difference variable. We also …
Aromaticity is a well-known phenomenon in both physics and chemistry, and is responsible for many unique chemical and physical properties of aromatic molecules. The primary feature contributing to the stability of polycyclic aromatic hydrocarbons is the delocalised $π$-electron clouds in the $2p_z$ orbitals of each of the $N$ carbon atoms. While it is known that electrons delocalize among the hybridized $sp^2$ orbitals, this paper proposes quantum walk as the mechanism by which the delocalization occurs, and also obtains how the functional chemical structures of these molecules arise naturally…
We present an experimental implementation of the coined discrete time quantum walk on a square using a three qubit liquid state nuclear magnetic resonance (NMR) quantum information processor (QIP). Contrary to its classical counterpart, we observe complete interference after certain steps and a periodicity in the evolution. Complete state tomography has been performed for each of the eight steps making a full period. The results have extremely high fidelity with the expected states and show clearly the effects of quantum interference in the walk. We also show and discuss the importance of choo…
Quantum sensitivity is an important issue in the field of quantum metrology where sub-Planck scale structures play crucial role in the Heisenberg limited measurement. We investigate the mesoscopic superposition structures, particularly for well-known cat-like and compass-like states, in the rotating Morse system where sub-Planck scale structures originate in the dynamics of a suitably constructed SU(2) coherent state. A detail study of the sensitivity analysis reveals that rotational coupling in the vibrational wave packet can be used as a probe to enhance the sensitivity limit in a diatomic m…
We present and study a two-particle quantum walk on the line in which the two particles interact via a long-range Coulombian-like interaction. We obtain the spectrum of the system as well as study the type of molecules that form, attending to the bosonic or fermionic nature of the walkers. The usual loss of distinction between attractive and repulsive forces does not entirely apply in our model because of the long-range of the interaction.
We consider the dynamics of rotational excitations placed on a single molecule in spatially disordered 1D, 2D and 3D ensembles of ultracold molecules trapped in optical lattices. The disorder arises from incomplete populations of optical lattices with molecules. This leads to a model corresponding to a quantum particle with long-range tunnelling amplitudes moving on a lattice with the same on-site energy but with forbidden access to random sites (vacancies). We examine the time and length scales of Anderson localization for this type of disorder with realistic experimental parameters in the Ha…
We propose a theoretical scheme for coupling a nanomechanical resonator to a single diatomic molecule via microwave cavity mode of a driven LC resonator. We describe the diatomic molecule by a Morse potential and find the corresponding equations of motion of the hybrid system by using Fokker-Planck formalism. Analytical expressions for the effective frequency and the effective damping of the nanomechanical resonator are obtained. We analyze the ground state cooling of the nanomechanical resonator in presence of the diatomic molecule. The results confirm that presence of the molecule improves t…
The Heisenberg uncertainty principle for material objects is an essential corner stone of quantum mechanics and clearly visualizes the wave nature of matter. Here we report a demonstration of the Heisenberg uncertainty principle for the most massive, complex and hottest single object so far, the fullerene molecule C70 at a temperature of 900 K. We find a good quantitative agreement with the theoretical expectation: dx * dp = h, where dx is the width of the restricting slit, dp is the momentum transfer required to deflect the fullerene to the first interference minimum and h is Planck's quantum…
We show that particle transport in a uniform, quantum multi-baker map, is generically ballistic in the long time limit, for any fixed value of Planck's constant. However, for fixed times, the semi-classical limit leads to diffusion. Random matrix theory provides explicit analytical predictions for the mean square displacement of a particle in the system. These results exhibit a crossover from diffusive to ballistic motion, with crossover time from diffusive to ballistic motion on the order of the inverse of Planck's constant. We can argue, that for a large class of 1D quantum random walks, sim…
We use simple deterministic dynamical systems as coins in studying quantum walks. These dynamical systems can be chosen to display, in the classical limit, a range of behaviors from the integrable to chaotic, or deterministically random. As an example of an integrable coin we study the Fourier walk that generalizes the Hadamard walk and show that the walker slows down with coin dimensionality, which controls the effective Planck constant. Introducing multi-Harper maps as deterministic models of random walks we study the effect of coin chaos on the quantum walk. We also demonstrate that breakin…
Heisenberg's principle$^1$ states that the product of uncertainties of position and momentum should be no less than Planck's constant $\hbar$. This is usually taken to imply that phase space structures associated with sub-Planck ($\ll \hbar$) scales do not exist, or, at the very least, that they do not matter. I show that this deeply ingrained prejudice is false: Non-local "Schrödinger cat" states of quantum systems confined to phase space volume characterized by `the classical action' $A \gg \hbar$ develop spotty structure on scales corresponding to sub-Planck $a = \hbar^2 / A \ll \hbar$. Suc…
A model multilevel molecule described by two sets of rotational internal energy levels of different parity and degenerate ground states, coupled by a constant interaction, is considered, by assuming that the random collisions in a gas of identical molecules, provoke transitions between adjacent energy levels of the same parity. The prescriptions of the continuous time quantum random walk are applied to the single molecule, interpreted as an open quantum system, and the master equation driving its internal dynamics is built for a general distribution of the waiting times between two consecutive…
We derive an expression for the mean square displacement of a particle whose motion is governed by a uniform, periodic, quantum multi-baker map. The expression is a function of both time, $t$, and Planck's constant, $\hbar$, and allows a study of both the long time, $t\to\infty$, and semi-classical, $\hbar\to 0$, limits taken in either order. We evaluate the expression using random matrix theory as well as numerically, and observe good agreement between both sets of results. The long time limit shows that particle transport is generically ballistic, for any fixed value of Planck's constant. Ho…
In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walkers to the FCI limit than the normal initiator method, particularly for large systems. In its application to strongly correlated molecules, however, the method is prone to overshooting the FCI energy at intermediate walker numbers, with convergence to the FCI limit from below. In this paper, we present a solution to the overshooting problem in strongly correlated molecules, as well as further accelerating convergence…
CNRS（法国国家科学研究中心）；LIS（系统信息学实验室）；Aix-Marseille Université（艾克斯-马赛大学）；Université de Toulon（土伦大学）；Ecole Normale Superieure（巴黎高等师范学院）
We propose a new family of discrete-spacetime quantum walks capable to propagate on any arbitrary triangulations. Moreover we also extend and generalize the duality principle introduced by one of the authors, linking continuous local deformations of a given triangulation and the inhomogeneity of the local unitaries that guide the quantum walker. We proved that in the formal continuous limit, in both space and time, this new family of quantum walks converges to the (1+2)D massless Dirac equation on curved manifolds. We believe that this result has relevance in both modelling/simulating quantum …
Recent findings suggest that processes such as the electronic energy transfer through the photosynthetic antenna display quantal features, aspects known from the dynamics of charge carriers along polymer backbones. Hence, in modeling energy transfer one has to leave the classical, master-equation-type formalism and advance towards an increasingly quantum-mechanical picture, while still retaining a local description of the complex network of molecules involved in the transport, say through a tight-binding approach. Interestingly, the continuous time random walk (CTRW) picture, widely employed i…
In this paper, we explore quantum interference in molecular conductance from the point of view of graph theory and walks on lattices. By virtue of the Cayley-Hamilton theorem for characteristic polynomials and the Coulson-Rushbrooke pairing theorem for alternant hydrocarbons, it is possible to derive a finite series expansion of the Green's function for electron transmission in terms of the odd powers of the vertex adjacency matrix or H{ü}ckel matrix. This means that only odd-length walks on a molecular graph contribute to the conductivity through a molecule. Thus, if there are only even-lengt…
