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arXiv:2307.11199 · Journal of High Energy Physics

A new picture of quantum tunneling in the real-time path integral from Lefschetz thimble calculations

Jun Nishimura, K. Sakai, Atis Yosprakob

Published Sep 18, 2023• 21 citations
arXivHTMLPDF

Abstract

Abstract It is well known that quantum tunneling can be described by instantons in the imaginary-time path integral formalism. However, its description in the real-time path integral formalism has been elusive. Here we establish a statement that quantum tunneling can be characterized in general by the contribution of complex saddle points, which can be identified by using the Picard-Lefschetz theory. We demonstrate this explicitly by performing Monte Carlo simulations of simple quantum mechanical systems, overcoming the sign problem by the generalized Lefschetz thimble method. We confirm numerically that the contribution of complex saddle points manifests itself in a complex “weak value” of the Hermitian coordinate operator $$ \hat{x} $$ x ̂ evaluated at time t, which is a physical quantity that can be measured by experiments in principle. We also discuss the transition to classical dynamics based on our picture.

DOI
10.1007/jhep09(2023)110

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Abstract It is well known that quantum tunneling can be described by instantons in the imaginary-time path integral formalism. However, its description in the real-time path integral formalism has been elusive. Here we establish a statement that quantum tunneling can be characterized in general by the contribution of complex saddle points, which can be identified by using the Picard-Lefschetz theory. We demonstrate this explicitly by performing Monte Carlo simulations of simple quantum mechanical systems, overcoming the sign problem by the generalized Lefschetz thimble method. We confirm numerically that the contribution of complex saddle points manifests itself in a complex “weak value” of the Hermitian coordinate operator x^\hat{x}x^ x ̂ evaluated at time t, which is a physical quantity that can be measured by experiments in principle. We also discuss the transition to classical dynamics based on our picture.
Quantum tunneling is mostly discussed in the Euclidean path integral formalism using instantons. On the other hand, it is difficult to understand quantum tunneling based on the real-time path integral due to its oscillatory nature, which causes the notorious sign problem. We show that recent development of the Lefschetz thimble method enables us to investigate this issue numerically. In particular, we find that quantum tunneling occurs due to complex trajectories, which are actually observable experimentally by using the so-called weak measurement.
Abstract We follow up the work, where in light of the Picard-Lefschetz thimble approach, we split up the real-time path integral into two parts: the initial density matrix part which can be represented via an ensemble of initial conditions, and the dynamic part of the path integral which corresponds to the integration over field variables at all later times. This turns the path integral into a two-stage problem where, for each initial condition, there exits one and only one critical point and hence a single thimble in the complex space, whose existence and uniqueness are guaranteed by the characteristics of the initial value problem. In this paper, we test the method for a fully quantum mechanical phenomenon, quantum tunnelling in quantum mechanics. We compare the method to solving the Schrödinger equation numerically, and to the classical-statistical approximation, which emerges naturally in a well-defined limit. We find that the Picard-Lefschetz result matches the expectation from quantum mechanics and that, for this application, the classical-statistical approximation does not.
The major difficulty for the Feynman Path Integral Monte Carlo (PIMC) simulations of the quantum systems of particles is the so called “sign problem”, arising due to the fast oscillations of the path integral integrand depending on the complex-valued action. Our aim is to find universal techniques being able to solve this problem. The new method combines the basic ideas of the Metropolis and Hasting algorithms and is based on the Picard-Lefschetz theory and complex-valued version of Morse theory. The basic idea is to choose the Lefschetz thimbles as manifolds approaching the saddle point of the integrand. On this thimble the imaginary part of the complex-valued action remains constant. As a result the integrand on each thimble does not oscillate, so the “sign problem” disappears and the integral can be calculated much more effectively. The developed approach allows also finding saddle points in the complexified space of path integral integration. Some simple test calculations and comparisons with available analytical results have been carried out.
We revisit the path integral description of quantum tunneling and its generalization to excited states. For clarity, we focus on the simple toy model of a point particle in a double-well potential, for which we perform all steps explicitly. Instead of performing the familiar Wick rotation from physical to imaginary time—which is inconsistent with the requisite boundary conditions when treating tunneling from excited states—we regularize the path integral by adding an infinitesimal complex contribution to the Hamiltonian, while keeping time strictly real. We find that this gives rise to a complex stationary-phase solution, in agreement with recent insights from Picard-Lefshetz theory. We then show that there exists a class of analytic solutions for the corresponding equations of motion, which can be made to match the appropriate boundary conditions in the physically relevant limits of a vanishing regulator and an infinite physical time. We provide a detailed discussion of this nontrivial limit. We find that, for systems without an explicit time-dependence, our approach reproduces the picture of an instantonlike solution defined on a finite Euclidean-time interval. Lastly, we discuss the generalization of our approach to broader classes of systems, for which it serves as a reliable framework for high-precision calculations.
The complex-time formalism is developed in the framework of the path-integral formalism, to be used for analysis of the quantum tunneling phenomena. We show that subleading complex-time saddle-points do not account for the right WKB result. Instead, we develop a reduction formula, which enables us to construct Green functions from simple components of the potential, for which saddle-point method is applicable. This method leads us to the valid WKB result, which incorporates imaginary-time instantons and bounces, as well as the real-time boundary conditions.
Abstract Direct numerical evaluation of the real-time path integral has a well-known sign problem that makes convergence exponentially slow. One promising remedy is to use Picard-Lefschetz theory to flow the domain of the field variables into the complex plane, where the integral is better behaved. By Cauchy’s theorem, the final value of the path integral is unchanged. Previous analyses have considered the case of real scalar fields in thermal equilibrium, employing a closed Schwinger-Keldysh time contour, allowing the evaluation of the full quantum correlation functions. Here we extend the analysis by not requiring a closed time path, instead allowing for an initial density matrix for out-of-equilibrium initial value problems. We are able to explicitly implement Gaussian initial conditions, and by separating the initial time and the later times into a two-step Monte-Carlo sampling, we are able to avoid the phenomenon of multiple thimbles. In fact, there exists one and only one thimble for each sample member of the initial density matrix. We demonstrate the approach through explicitly computing the real-time propagator for an interacting scalar in 0+1 dimensions, and find very good convergence allowing for comparison with perturbation theory and the classical-statistical approximation to real-time dynamics.