For any classical statistical-mechanics model with a discrete state space, and endowed with a dynamics satisfying detailed balance, it is possible to generalize the Rokhsar–Kivelson point for the quantum dimer model. That is, a quantum Hamiltonian can be constructed (on the same state space) such that the ground state wavefunction coincides with the classical equilibrium distribution. Furthermore the excited eigenstates correspond to classical relaxation modes, which (in cases with a symmetry or conserved quantity) permits extraction of the dispersion law of long-wavelength excitations. The mapping is natural mainly when the states have equal weight, as is typical of a highly frustrated model. Quantum and classical correlation functions are related by analytic continuation to the imaginary time axis.
For any classical statistical-mechanics model with a discrete state space, and endowed with a dynamics satisfying detailed balance, it is possible to generalize the Rokhsar–Kivelson point for the quantum dimer model. That is, a quantum Hamiltonian can be constructed (on the same state space) such that the ground state wavefunction coincides with the classical equilibrium distribution. Furthermore the excited eigenstates correspond to classical relaxation modes, which (in cases with a symmetry or conserved quantity) permits extraction of the dispersion law of long-wavelength excitations. The mapping is natural mainly when the states have equal weight, as is typical of a highly frustrated model. Quantum and classical correlation functions are related by analytic continuation to the imaginary time axis.
Abstract. For any classical statistical-mechanics model with a discrete state space, and endowed with a dynamics satisfying detailed balance, it is possible to generalize the Rokhsar-Kivelson point for the quantum dimer model. That is, a quantum Hamiltonian can be constructed (on the same state space), such that the ground state wavefunction coincides with the classical equilibrium distribution. Furthermore the excited eigenstates correspond to classical relaxation modes, which (in cases with a symmetry or conserved quantity) permits extraction of the dispersion law of long-wavelength excitations. The mapping is natural mainly when the states have equal weight, as is typical of a highly frustrated model. Quantum and classical correlation functions are related by analytic continuation to the imaginary time axis. The quantum dimer model [1] of Rokhsar and Kivelson (RK) was inspired by the resonating-valence bond state of a quantum antiferromagnet, which had just been proposed as a starting point for the explanation of high-temperature superconductivity. That was not to be, but models of this type are of interest among
We study the connection between the phase behavior of quantum dimers and the dynamics of classical stochastic dimers. At the so-called Rokhsar-Kivelson (RK) point a quantum dimer Hamiltonian is equivalent to the Markov generator of the dynamics of classical dimers. A less well understood fact is that away from the RK point the quantum-classical connection persists: in this case the Hamiltonian corresponds to a nonstochastic ``tilted'' operator that encodes the statistics of time-integrated observables of the classical stochastic problem. This implies a direct relation between the phase behavior of quantum dimers and properties of ensembles of stochastic trajectories of classical dimers. We make these ideas concrete by studying fully packed dimers on the square lattice. Using transition path sampling---supplemented by trajectory umbrella sampling---we obtain the large deviation statistics of dynamical activity in the classical problem, and show the correspondence between the phase behavior of the classical and quantum systems. The transition at the RK point between quantum phases of distinct order corresponds, in the classical case, to a trajectory phase transition between active and inactive dynamical phases. Furthermore, from the structure of stochastic trajectories in the active dynamical phase we infer that the ground state of quantum dimers has columnar order to one side of the RK point. We discuss how these results relate to those from quantum Monte Carlo, and how our approach may generalize to other problems.
We have thus far looked at the classical statistical mechanics of a collection of Ising spins in terms of their partition function. We have seen how to extract the free energy per site and correlation functions of the d = 1 Ising model. We will now consider a second way to do this. While the results are, of course, going to be the same, the method exposes a deep connection between classical statistical mechanics in d = 1 and the quantum mechanics of a single spin-12 particle. This is the simplest way to learn about a connection that has a much wider range of applicability: the classical statistical mechanics of a problem in d dimensions may be mapped on to a quantum problem in d – 1 dimensions. The nature of the quantum variable will depend on the nature of the classical variable. In general, the allowed values of the classical variable ( s =±1 in our example) will correspond to the maximal set of simultaneous eigenvalues of the operators in the quantum problem ( σz in our example). Subsequently we will study a problem where the classical variable called x lies in the range –∞ < x < ∞ and will correspond to the eigenvalues of the familiar position operator X that appears in the quantum problem. The correlation functions will become the expectation values in the ground state of a certain transfer matrix . The different sites in the d = 1 lattice will correspond to different, discrete, times in the life of the quantum degree of freedom. By the same token, a quantum problem may be mapped into a statistical mechanics problem in one-higher dimensions, essentially by running the derivation backwards. In this case the resulting partition function is also called the path integral for the quantum problem. There is, however, no guarantee that the classical partition function generated by a legitimate quantum problem (with a Hermitian Hamiltonian) will always make physical sense: the corresponding Boltzmann weights may be negative, or even complex! In the quantum mechanics we first learn, time t is a real parameter. For our purposes we also need to get familiar with quantum mechanics in which time takes on purely imaginary values t = –iτ , where τ is real. It turns out that it is possible to define such a Euclidean quantum mechanics .
The work in this thesis is split into two main parts; the dynamical study of the fully packed classical dimer model, and the development of advanced large deviation techniques applied to the classical dimer model, highlighting the connection to the quantum dimer model. The classical dimer model on the square lattice is a paradigmatic example of a system subject to strong local constraints. We study its behavior under local stochastic dynamics, by means of Monte Carlo simulations and theoretical arguments. We observe clear signatures of correlated dynamics in both global and local observables and over a broad range of time scales, indicating a breakdown of the simple continuum description that approximates well the statics. We show that this collective dynamics can be understood in terms of one-dimensional “strings” of high mobility. We introduce a coarse-grained description of the strings, which leads to exact results in the limit of low string density and provides a detailed qualitative understanding of the dynamics in all flux sectors. We then go on, still using the fully packed dimers on the square lattice as a paradigmatic system, to study the connection between the phase behaviour of the ground state of quantum dimers and the dynamics of classical stochastic dimers. At the so-called Rokhsar-Kivelson (RK) point, a quantum dimer Hamiltonian is equivalent to the Markov generator of the dynamics of classical dimers. A less well understood fact is that away from the RK point the quantum-classical connection persists: in this case the quantum Hamiltonian maps to a non-stochastic "tilted" master operator of the classical stochastic problem. This implies a direct relation between the phase behaviour of quantum dimers and properties of ensembles of stochastic trajectories of classical dimers. Using transition path sampling (TPS) -- supplemented by trajectory umbrella sampling -- we obtain the large deviation statistics of dynamical activity in the classical problem, and show the correspondence between the phase behaviour of the classical and quantum systems. Finally, we take these ideas further by developing a feedback-based modified dynamics used for umbrella sampling alongside TPS. This feedback approach was first used in the cloning (or population dynamics) method. We compare different modified dynamics within TPS and show how much more efficient the feedback-modified dynamics can be than the original dynamics, for the purpose of rare event sampling. We also discuss how our approach may generalise to other problems with slow complex dynamics.
Recently, the possibility of investigating single molecule, or single spin observables, as well as the necessity of a better understanding of the mechanisms underlying quantum dynamics in order to obtain nanoscale devices and nanostructered materials suitable for quantum computing tasks, have revived the interest in foundational aspects of quantum statistical mechanics. This thesis aims to give a contribution to this field by re-considering the statistical characterization of a quantum system at the light of some paradigmatic changes in our understanding of quantum theory which have taken place in the last two decades. In particular the impressive development of quantum information theory has changed the perceptions of quantum entanglement: for a long time it has been considered a somewhat paradoxical property of the matter at the atomic scale, but now it is regarded as an essential and ubiquitous phenomenon whose consequences are affecting the very macroscopic world that we experience. Still the decoherence program has brought out the importance of considering a quantum system together with its environment in order to clarify some key aspects of quantum dynamics. Thus, we start from the idea that quantum correlations are ubiquitous and somewhat uncontrollable in systems with many degrees of freedom which are typically considered in statistical mechanics. As a consequence we assume the standpoint that quantum statistical mechanics has not to be based on the underlying idea of a collection of many, independent quantum systems but rather it has to emerge at the level of a global wavefunction (pure state) which describes the system as well as its environment as a whole. In order to investigate the consequences of these assumptions we study the equilibrium distribution of an isolated quantum system. This is defined, in analogy with the ergodic foundations of classical statistical mechanics, on the basis of the time evolution of the quantum state. Then, we study the emergence of thermodynamic properties in a quantum system by studying the probability distribution of some function of interests, as the entropy and the equilibrium state of a subsystem, on Ensembles of Pure States. Such a probability distribution is derived from the geometry of the Hilbert space, and the theoretical tools suitable for its characterization are developed. On the one hand we perform a numerical sampling of the ensemble distributions by employing Monte Carlo techniques, on the other hand simpler analytical approximation of the geometrical distributions are derived by means of a maximum entropy principle. Model systems composed of an ensemble of spins are chosen to illustrate the salient features which emerge from the developed theoretical framework: the main point is that the Ensemble Distributions of “thermodynamic observables” (entropy or equilibrium state of a subsystem) are sharply peaked around a typical value. From the analysis it emerges that each of the overwhelming majority of the wavefunctions which has appreciable weight in the considered ensemble, is characterized by the same value of the “macroscopic” functions. This is a striking evidence of the “typicality” of these properties. In the essence, our impossibility to know the state of the system in detail does not matter, just for the remarkable fact that almost all quantum states behave essentially in the same way. By virtue of this typicality the study of the behaviour of the typical values of the thermodynamic function become meaningful. Notably, under certain conditions, one recovers the results of standard statistical mechanics, that is, the equilibrium average of the state of a subsystem can be cast in the Boltzmann canonical form at the temperature given by the usual thermodynamical relation . In the second part of the thesis we consider the dynamical aspects of the equilibrium state of a subsystem interacting with its environment. The fluctuations around the equilibrium average critically depends on the entanglement between the system and the environment and on the form of the interaction Hamiltonian. The connection between the dynamics of the fluctuations of an observable at the equilibrium and the relaxation toward the equilibrium from a “non typical” initial value is also investigated with the aid of simple model systems. The study presented in this thesis was partly motivated by a critical analysis of the statistical methods available for the theoretical modelling of magnetic resonance experiments. One of these, the Stochastic Liouville Equation, has been employed in a work completed during the first year of my Ph.D. program in order to interpret some feature of a two dimensional electron spin resonance experiment, [Fresch B., Frezzato D., Moro G. J., Kothe G., Freed J. H.; J. Phys. Chem. B., 110, 24238, (2006)].
We study a general class of easy-axis spin models on a lattice of corner sharing even-sided polygons with all-to-all interactions within a plaquette. The low-energy description corresponds to a quantum dimer model on a dual lattice of even coordination number with a multidimer constraint. At an appropriately constructed frustration-free Rokhsar-Kivelson (RK) point, the ground-state wavefunction can be exactly mapped onto a classical vertex model on the dual lattice. When the dual lattice is bipartite, the vertex models are bonded and are self-dual under Wegner's duality, with the self-dual point corresponding to the RK point of the original multidimer model. We argue that the self-dual point is a critical point based on known exact solutions to some of the vertex models. When the dual lattice is nonbipartite, the vertex model is arrowed, and we use numerical methods to argue that there is no phase transition as a function of the vertex weights. Motivated by these wavefunction dualities, we construct two other distinct families of frustration-free Hamiltonians whose ground states can be mapped onto these vertex models. Many of these RK Hamiltonians provably host Z2 topologically ordered phases.