Path Integral Representation Research Articles

P(𝜙)1-process for the spin-boson model and a functional central limit theorem for associated additive functionals

We construct a random process with stationary increments associated to the Hamiltonian of the spin-boson model consisting of a component describing the spin and a component given by a Schwartz distribution-valued Ornstein-Uhlenbeck process describing the boson field. We use a path integral representation of the Hamiltonian to prove a functional central limit theorem for additive functionals, and derive explicit expressions of the diffusion constant for specific functionals.

Rules of calculus in the path integral representation of white noise Langevin equations: the Onsager–Machlup approach

The definition and manipulation of Langevin equations with multiplicative white noise require special care (one has to specify the time discretisation and a stochastic chain rule has to be used to perform changes of variables). While discretisation-scheme transformations and non-linear changes of variable can be safely performed on the Langevin equation, these same transformations lead to inconsistencies in its path-integral representation. We identify their origin and we show how to extend the well-known Ito prescription () in a way that defines a modified stochastic calculus to be used inside the path-integral representation of the process, in its Onsager–Machlup form.

Factor Ordering and Path Integral Measure for Quantum Gravity in (1+1) Dimensions

We develop a mathematically rigorous path integral representation of the time evolution operator for a model of (1+1) quantum gravity that incorporates factor ordering ambiguity. In obtaining a suitable integral kernel for the time-evolution operator, one requires that the corresponding Hamiltonian is self-adjoint; this issue is subtle for a particular category of factor orderings. We identify and parametrize a complete set of self-adjoint extensions and provide a canonical description of these extensions in terms of boundary conditions. Moreover, we use Trotter-type product formulae to construct path-integral representations of time evolution.

Local time of Lévy random walks: A path integral approach.

The local time of a stochastic process quantifies the amount of time that sample trajectories x(τ) spend in the vicinity of an arbitrary point x. For a generic Hamiltonian, we employ the phase-space path-integral representation of random walk transition probabilities in order to quantify the properties of the local time. For time-independent systems, the resolvent of the Hamiltonian operator proves to be a central tool for this purpose. In particular, we focus on the local times of Lévy random walks (Lévy flights), which correspond to fractional diffusion equations.

First-principles simulations of warm dense lithium fluoride.

We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of 2.08-15.70gcm^{-3} and 10^{4}-10^{9} K. Since PIMC and DFT-MD accurately treat effects of atomic shell structure, we find a pronounced compression maximum and a shoulder on the principal Hugoniot curve attributed to K-shell and L-shell ionization. The results provide a benchmark for widely used EOS tables, such as SESAME, LEOS, and models. In addition, we compute pair-correlation functions that reveal an evolving plasma structure and ionization process that is driven by thermal and pressure ionization. Finally, we compute electronic density of states of liquid LiF from DFT-MD simulations and find that the electronic gap can remain open with increasing density and temperature to at least 15.7 gcm^{-3}.

Quantum corrections of the truncated Wigner approximation applied to an exciton transport model.

We modify the path integral representation of exciton transport in open quantum systems such that an exact description of the quantum fluctuations around the classical evolution of the system is possible. As a consequence, the time evolution of the system observables is obtained by calculating the average of a stochastic difference equation which is weighted with a product of pseudoprobability density functions. From the exact equation of motion one can clearly identify the terms that are also present if we apply the truncated Wigner approximation. This description of the problem is used as a basis for the derivation of a new approximation, whose validity goes beyond the truncated Wigner approximation. To demonstrate this we apply the formalism to a donor-acceptor transport model.

Particle Smoothing for Hidden Diffusion Processes: Adaptive Path Integral Smoother

Particle smoothing methods are used for inference of stochastic processes based on noisy observations. Typically, the estimation of the marginal posterior distribution given all observations is cumbersome and computational intensive. In this paper, we propose a simple algorithm based on path integral control theory to estimate the smoothing distribution of continuous-time diffusion processes with partial observations. In particular, we use an adaptive importance sampling method to improve the effective sampling size of the posterior over processes given the observations and the reliability of the estimation of the marginals. This is achieved by estimating a feedback controller to sample efficiently from the joint smoothing distributions. We compare the results with estimations obtained from the standard Forward Filter/Backward Simulator for two diffusion processes of different complexity. We show that the proposed method gives more reliable estimations than the standard FFBSi when the smoothing distribution is poorly represented by the filter distribution.

Comparison of path integral Monte Carlo simulations of helium, carbon, nitrogen, oxygen, water, neon, and silicon plasmas

We have performed all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore properties of first- and second-row materials in the liquid, warm dense matter, and plasma regimes. Our simulations have covered a wide density-temperature range of roughly 1–15 g cm−3 and 104–109 K). We first analyze the ionization behavior of carbon and water plasma. Then we provide a comparative analysis of the pair-correlation functions and Hugoniot curves of He, C, N, O, Ne, and Si plasmas. Pair-correlation functions give insight into the evolution of plasma structure and ionization processes that are driven by changes in temperature and density. Finally, we show that the maximum shock compression of a material is controlled by the ionization of L-shell and K-shell electrons and depends strongly on this as a function of the atomic number of the material.

Higher-Order Wave Equation Within the Duffin–Kemmer–Petiau Formalism

Within the framework of the Duffin–Kemmer–Petiau (DKP) formalism a consistent approach to derivation of the third-order wave equation is suggested. For this purpose, an additional algebraic object, the so-called q-commutator (q is a primitive cubic root of unity) and a new set of matrices ημ instead of the original matrices βμ of the DKP algebra are introduced. It is shown that in terms of these η-matrices, we have succeeded to reduce the procedure of the construction of cubic root of the third-order wave operator to a few simple algebraic transformations and to a certain operation of passage to the limit z → q, where z is some complex deformation parameter entering into the definition of the ημ-matrices. A corresponding generalization of the result obtained to the case of interaction with an external electromagnetic field introduced through the minimal coupling scheme is performed. The application to the problem of construction within the DKP approach of the path integral representation in parasuperspace for the propagator of a massive vector particle in a background gauge field is discussed.

Relative entanglement entropies in 1 + 1-dimensional conformal field theories

We study the relative entanglement entropies of one interval between excited states of a 1+1 dimensional conformal field theory (CFT). To compute the relative entropy S(ρ1∥ρ0) between two given reduced density matrices ρ1 and ρ0 of a quantum field theory, we employ the replica trick which relies on the path integral representation of Tr(ρ1ρ0n − 1) and define a set of Rényi relative entropies Sn(ρ1∥ρ0). We compute these quantities for integer values of the parameter n and derive via the replica limit the relative entropy between excited states generated by primary fields of a free massless bosonic field. In particular, we provide the relative entanglement entropy of the state described by the primary operator i∂ϕ, both with respect to the ground state and to the state generated by chiral vertex operators. These predictions are tested against exact numerical calculations in the XX spin-chain finding perfect agreement.

Second-order temporal interference of two independent light beams at an asymmetrical beam splitter**Project supported by the National Natural Science Foundation of China (Grant No. 11404255), the Doctor Foundation of Education Ministry of China (Grant No. 20130201120013), the Programme of Introducing Talents of Discipline to Universities, China (Grant No. B14040), and the Fundamental Research Funds for the Central Universities, China.

The second-order temporal interference of classical and nonclassical light at an asymmetrical beam splitter is discussed based on two-photon interference in Feynman’s path integral theory. The visibility of the second-order interference pattern is determined by the properties of the superposed light beams, the ratio between the intensities of these two light beams, and the reflectivity of the asymmetrical beam splitter. Some requirements about the asymmetrical beam splitter have to be satisfied in order to ensure that the visibility of the second-order interference pattern of nonclassical light beams exceeds the classical limit. The visibility of the second-order interference pattern of photons emitted by two independent single-photon sources is independent of the ratio between the intensities. These conclusions are important for the researches and applications in quantum optics and quantum information when an asymmetrical beam splitter is employed.

Toward Picard–Lefschetz theory of path integrals, complex saddles and resurgence

We show that the semi-classical analysis of generic Euclidean path integrals necessarily requires complexification of the action and measure, and consideration of complex saddle solutions. We demonstrate that complex saddle points have a natural interpretation in terms of the Picard-Lefschetz theory. Motivated in part by the semi-classical expansion of QCD with adjoint matter on ${\mathbb R}^3\times S^1$, we study quantum-mechanical systems with bosonic and fermionic (Grassmann) degrees of freedom with harmonic degenerate minima, as well as (related) purely bosonic systems with harmonic non-degenerate minima. We find exact finite action non-BPS bounce and bion solutions to the holomorphic Newton equations. We find not only real solutions, but also complex solution with non-trivial monodromy, and finally complex multi-valued and singular solutions. Complex bions are necessary for obtaining the correct non-perturbative structure of these models. In the supersymmetric limit the complex solutions govern the ground state properties, and their contribution to the semiclassical expansion is necessary to obtain consistency with the supersymmetry algebra. The multi-valuedness of the action is either related to the hidden topological angle or to the resurgent cancellation of ambiguities. We also show that in the approximate multi-instanton description the integration over the complex quasi-zero mode thimble produces the most salient features of the exact solutions. While exact complex saddles are more difficult to construct in quantum field theory, the relation to the approximate thimble construction suggests that such solutions may be underlying some remarkable features of approximate bion saddles in quantum field theories.

Phase Space Path Integral Representation for Wigner Function

Quantum interference and exchange statistical effects can affect the momentum distribution functions making them non-Maxwellian. Such effects may be important in studies of kinetic properties of matter at low temperatures and under extreme conditions. In this work we have generalized the path integral representation for Wigner function to strongly coupled three-dimensional quantum system of particles with Boltzmann and Fermi statistics. In suggested approach the explicit expression for Wigner function was obtained in harmonic approximation and Monte Carlo method allowing numerical calculation of Wigner function, distribution functions and average quantum values has been developed. As alternative more accurate single-momentum approach and related Monte Carlo method have been developed to calculation of the distribution functions of degenerate system of interacting fermions. It allows partially overcoming the well-known sign problem for degenerate Fermi systems.

Worldline Path-Integral Representations for Standard Model Propagators and Effective Actions

We develop the formalism to do worldline calculations relevant for the Standard Model. For that, we first figure out the worldline representations for the free propagators of massless chiral fermions of a single generation and gauge bosons of the Standard Model. Then we extend the formalism to the massive and dressed cases for the fermions and compute the QED vertex. We then go over fermionic one-loop effective actions and anomalies. To our knowledge, in the places where there has been an attempt at deriving the gauge boson propagator, the derivation is somewhat contrived, and we believe our derivation is more straightforward. Moreover, our incorporation of internal degrees of freedom is novel and sports some new features. The derivation of the QED vertex is also new. The treatment of the fermionic one-loop effective actions leads to a particularly economical derivation of chiral anomalies and the gauge anomaly freedom in the Standard Model, improving upon the state of the art in the literature. The appropriate worldline formalism developed thus sets the stage for Standard Model calculations beyond the tree and one-loop cases that incorporate Bern-Kosower type formulae for multiloop amplitudes, relevant for processes at the LHC.

Field theory of symmetry-protected valence bond solid states in (2+1) dimensions

This paper describes a semiclassical field-theory approach to the topological properties of spatially featureless Affleck-Kennedy-Lieb-Tasaki type valence bond solid ground states of antiferromagnets in spatial dimensions one to three. Using nonlinear sigma models set in the appropriate target manifold and augmented with topological terms, we argue that the path integral representation of the ground-state wave functional can correctly distinguish symmetry-protected topological ground states from topologically trivial ones. The symmetry-protection feature is demonstrated explicitly in terms of a dual field theory, where we take into account the nontrivial spatial structure of topological excitations, which are caused by competition among the relevant ordering tendencies. A temporal surface contribution to the action originating from the bulk topological term plays a central role in our study. We discuss how the same term governs the behavior of the so-called strange correlator. In particular, we find that the path integral expression for the strange correlator in two dimensions reduces to the well-known Haldane expression for the two point spin correlator of antiferromagnetic spin chains.

Studying fermionic ghost imaging with independent photons.

Ghost imaging with thermal fermions is calculated via two-particle interference based on the superposition principle for different alternatives in Feynman's path integral theory. It is found that ghost imaging with fully polarized thermal fermions can be simulated by ghost imaging with fully polarized thermal bosons and classical particles. Photons in pseudothermal light are employed to experimentally study fermionic ghost imaging. Ghost imaging with thermal bosons and fermions is discussed based on the point-to-point (spot) correlation between the object and image planes. The employed method offers an efficient guidance for future ghost imaging with real thermal fermions, which may also be generalized to study other second-order interference phenomena with fermions.

Matrix product state renormalization

The truncation or compression of the spectrum of Schmidt values is inherent to the matrix product state (MPS) approximation of one-dimensional quantum ground states. We provide a renormalization group picture by interpreting this compression as an application of Wilson's numerical renormalization group along the imaginary time direction appearing in the path integral representation of the state. The location of the physical index is considered as an impurity in the transfer matrix and static MPS correlation functions are reinterpreted as dynamical impurity correlations. Coarse-graining the transfer matrix is performed using a hybrid variational ansatz based on matrix product operators, combining ideas of MPS and the multi-scale entanglement renormalization ansatz. Through numerical comparison with conventional MPS algorithms, we explicitly verify the impurity interpretation of MPS compression, as put forward by [V. Zauner et al., New J. Phys. 17, 053002 (2015)] for the transverse-field Ising model. Additionally, we motivate the conceptual usefulness of endowing MPS with an internal layered structure by studying restricted variational subspaces to describe elementary excitations on top of the ground state, which serves to elucidate a transparent renormalization group structure ingrained in MPS descriptions of ground states.

Momentum distribution functions of strongly correlated systems of particles: Wigner approach and path integrals

The new numerical version of the Wigner approach to quantum mechanics for treatment thermodynamic properties of the strongly interacting systems of particles has been developed for extreme conditions, when there are no small physical parameters and analytical approximations used in different kind of perturbation theories can not be applied. The new path integral representation of the quantum Wigner function in the phase space has been developed for canonical ensemble. Explicit analytical expression of the Wigner function has been obtained in linear and harmonic approximations. The new quantum Monte-Carlo method for calculations of average values of arbitrary quantum operators has been proposed. Preliminary calculations of the momentum distribution function of the Coulomb systems of particles have been carried out. Comparison with classical Maxwell-Boltzmann distribution shows the significant influence of quantum effects on the high energy asymptotics (“tails’) of the calculated momentum distribution functions, which resulted in appearance of sharp oscillations.

Fall-Off of Eigenfunctions for Non-Local Schrödinger Operators with Decaying Potentials

We study the spatial decay of eigenfunctions of non-local Schrödinger operators whose kinetic terms are generators of symmetric jump-paring Lévy processes with Kato-class potentials decaying at infinity. This class of processes has the property that the intensity of single large jumps dominates the intensity of all multiple large jumps. We find that the decay rates of eigenfunctions depend on the process via specific preference rates in particular jump scenarios, and depend on the potential through the distance of the corresponding eigenvalue from the edge of the continuous spectrum. We prove that the conditions of the jump-paring class imply that for all eigenvalues the corresponding positive eigenfunctions decay at most as rapidly as the Lévy intensity. This condition is sharp in the sense that if the jump-paring property fails to hold, then eigenfunction decay becomes slower than the decay of the Lévy intensity. We furthermore prove that under reasonable conditions the Lévy intensity also governs the upper bounds of eigenfunctions, and ground states are comparable with it, i.e., two-sided bounds hold. As an interesting consequence, we identify a sharp regime change in the decay of eigenfunctions as the Lévy intensity is varied from sub-exponential to exponential order, and dependent on the location of the eigenvalue, in the sense that through the transition Lévy intensity-driven decay becomes slower than the rate of decay of the Lévy intensity. Our approach is based on path integration and probabilistic potential theory techniques, and all results are also illustrated by specific examples.

Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics.

In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.