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Path integrals constitute powerful representations for both quantum and stochastic dynamics. Yet despite many decades of intensive studies, there is no consensus on how to formulate them for dynamics in curved space, or how to make them covariant with respect to nonlinear transform of variables. In this work, we construct rigorous and covariant formulations of time-slicing path integrals for quantum and classical stochastic dynamics in curved space. We first establish a rigorous criterion for correct time-slice actions of path integrals (Lemma 1). This implies the existence of infinitely many equivalent representations for time-slicing path integral. We then show that, for any dynamics with second order generator, all time-slice actions are asymptotically equivalent to a Gaussian (Lemma 2). Using these results, we further construct a continuous family of equivalent actions parameterized by an interpolation parameter $alpha in [0,1]$ (Lemma 3). The action generically contains a spurious drift term linear in $Delta boldsymbol x$, whose concrete form depends on $alpha$. Finally we also establish the covariance of our path-integral formalism, by demonstrating how the action transforms under nonlinear transform of variables. The $alpha = 0$ representation of time-slice action is particularly convenient because it is Gaussian and invariant, as long as $Delta boldsymbol x$ transforms according to Itos formula.
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Motivated by the study of rare events for a typical genetic switching model in systems biology, in this paper we aim to establish the general two-scale large deviations for chemical reaction systems. We build a formal approach to explicitly obtain the large deviation rate functionals for the considered two-scale processes based upon the second-quantization path integral technique. We get three important types of large deviation results when the underlying two times scales are in three different regimes. This is realized by singular perturbation analysis to the rate functionals obtained by path integral. We find that the three regimes possess the same deterministic mean-field limit but completely different chemical Langevin approximations. The obtained results are natural extensions of the classical large volume limit for chemical reactions. We also discuss its implication on the single-molecule Michaelis-Menten kinetics. Our framework and results can be applied to understand general multi-scale systems including diffusion processes.
We introduce a deterministic SO(3) invariant dynamics of classical spins on a discrete space-time lattice and prove its complete integrability by explicitly finding a related non-constant (baxterized) solution of the set-theoretic quantum Yang-Baxter equation over the 2-sphere. Equipping the algebraic structure with the corresponding Lax operator we derive an infinite sequence of conserved quantities with local densities. The dynamics depend on a single continuous spectral parameter and reduce to a (lattice) Landau-Lifshitz model in the limit of a small parameter which corresponds to the continuous time limit. Using quasi-exact numerical simulations of deterministic dynamics and Monte Carlo sampling of initial conditions corresponding to a maximum entropy equilibrium state we determine spin-spin spatio-temporal (dynamical) correlation functions with relative accuracy of three orders of magnitude. We demonstrate that in the equilibrium state with a vanishing total magnetization the correlation function precisely follow Kardar-Parisi-Zhang scaling hence the spin transport belongs to the universality class with dynamical exponent z=3/2, in accordance to recent related simulations in discrete and continuous time quantum Heisenberg spin 1/2 chains.
The stochastic solution with Gaussian stationary increments is establihsed for the symmetric space-time fractional diffusion equation when $0 < beta < alpha le 2$, where $0 < beta le 1$ and $0 < alpha le 2$ are the fractional derivation orders in time and space, respectively. This solution is provided by imposing the identity between two probability density functions resulting (i) from a new integral representation formula of the fundamental solution of the symmetric space-time fractional diffusion equation and (ii) from the product of two independent random variables. This is an alternative method with respect to previous approaches such as the scaling limit of the continuos time random walk, the parametric subordination and the subordinated Langevin equation. A new integral representation formula for the fundamental solution of the space-time fractional diffusion equation is firstly derived. It is then shown that, in the symmetric case, a stochastic solution can be obtained by a Gaussian process with stationary increments and with a random wideness scale variable distributed according to an arrangement of two extremal Levy stable densities. This stochastic solution is self-similar with stationary increments and uniquely defined in a statistical sense by the mean and the covariance structure. Numerical simulations are carried out by choosing as Gaussian process the fractional Brownian motion. Sample paths and probability densities functions are shown to be in agreement with the fundamental solution of the symmetric space-time fractional diffusion equation.
We consider the $U(1)$ Chern-Simons gauge theory defined in a general closed oriented 3-manifold $M$; the functional integration is used to compute the normalized partition function and the expectation values of the link holonomies. The nonperturbative path-integral is defined in the space of the gauge orbits of the connections which belong to the various inequivalent $U(1)$ principal bundles over $M$; the different sectors of the configuration space are labelled by the elements of the first homology group of $M$ and are characterized by appropriate background connections. The gauge orbits of flat connections, whose classification is also based on the homology group, control the extent of the nonperturbative contributions to the mean values. The functional integration is achieved in any 3-manifold $M$, and the corresponding path-integral invariants turn out to be strictly related with the abelian Reshetikhin-Turaev surgery invariants.
The quantum many-body problem in condensed phases is often simplified using a quasiparticle description, such as effective mass theory for electron motion in a periodic solid. These approaches are often the basis for understanding many fundamental condensed phase processes, including the molecular mechanisms underlying solar energy harvesting and photocatalysis. Despite the importance of these effective particles, there is still a need for computational methods that can explore their behavior on chemically relevant length and time scales. This is especially true when the interactions between the particles and their environment are important. We introduce an approach for studying quasiparticles in condensed phases by combining effective mass theory with the path integral treatment of quantum particles. This framework incorporates the generally anisotropic electronic band structure of materials into path integral simulation schemes to enable modeling of quasiparticles in quantum confinement, for example. We demonstrate the utility of effective mass path integral simulations by modeling an exciton in solid potassium chloride and electron trapping by a sulfur vacancy in monolayer molybdenum disulfide.
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