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In this paper, we derive a perturbatively-corrected instanton rate theory in the ring-polymer framework (RPI+PC), which significantly enhances the accuracy of instanton theory by using third and fourth derivatives of the potential to…

Chemical Physics · Physics 2025-09-03 Jindra Dušek , Joseph E. Lawrence , Jeremy O. Richardson

We solve time-sliced path integrals of one-dimensional Coulomb system in an exact manner. In formulating path integrals, we make use of the Duru-Kleinert transformation with Fujikawa's gauge theoretical technique. Feynman kernels in the…

High Energy Physics - Theory · Physics 2009-03-24 Seiji Sakoda

A variation to the usual formulation of Grassmann representation path integrals is presented. Time-indexed anticommuting partners are introduced for each Grassmann coherent state variable and a general method for handling the effect of…

Quantum Physics · Physics 2007-05-23 S. Shresta

The quantum instanton approximation is a type of quantum transition state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low order derivatives at time zero. Here we present several…

Chemical Physics · Physics 2009-11-11 Sandy Yang , Takeshi Yamamoto , William H. Miller

Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applicability. Still, a large number of energy and gradient…

Chemical Physics · Physics 2020-09-10 Jan Meisner , Johannes Kästner

In this article we consider a path integral formulation of the Hubbard model based on a SU(2)-symmetrical Hubbard-Stratonovich transformation that couples auxiliary field to the local electronic density. This decoupling is known to have a…

Strongly Correlated Electrons · Physics 2023-11-21 Maksim Ulybyshev , Christopher Winterowd , Fakher Assaad , Savvas Zafeiropoulos

We construct all instantons in the \nlsig\ on a cylindrical space-time, known not to exist on a finite time interval. The scale parameter, $\rho$, is related to the boundary condition in time. This may cure the $\rho\rightarrow0$ divergent…

High Energy Physics - Lattice · Physics 2008-11-26 Jeroen Snippe , Pierre van Baal

An approach to evaluation of the smooth Feynman path integrals is developed for the study of quantum fluctuations of particles and fields in Euclidean time-space. The paths are described by sum of Gauss functions and are weighted with…

Quantum Physics · Physics 2014-11-14 Takayasu Sekihara

Ring-polymer instanton theory has been developed to simulate the quantum dynamics of molecular systems at low temperatures. Chemical reaction rates can be obtained by locating the dominant tunneling pathway and analyzing fluctuations around…

Chemical Physics · Physics 2019-03-25 Pierre Winter , Jeremy O. Richardson

We derive the tunneling rate for paramagnetic molecules in the context of a collective spin model. By means of path integral methods an analytical expression is derived. Given the very large spins in question (s ~ 3000 hbar), the…

Statistical Mechanics · Physics 2009-11-07 E. H. Martins Ferreira , M. C. Nemes

The phase-integral and worldline-instanton methods are two widely used methods to calculate Schwinger pair-production densities in electric fields of fixed direction that depend on just one time or space coordinate in the same fixed plane…

High Energy Physics - Theory · Physics 2019-04-23 Sang Pyo Kim , Don N. Page

For rare events, path probabilities often concentrate close to a predictable path, called instanton. First developed in statistical physics and field theory, instantons are action minimizers in a path integral representation. For chaotic…

Chaotic Dynamics · Physics 2020-07-15 Eric Woillez , Freddy Bouchet

Spin tunneling in the particular case of the magnetic molecular cluster octanuclear iron(III), Fe8, is treated by an effective Hamiltonian that allows for an angle-based description of the process. The presence of an external magnetic field…

Quantum Physics · Physics 2009-11-13 D. Galetti , E. C. Silva

Scheme for optimal spin state estimation is considered in analogy with phase detection in interferometry. Recently reported coherent measurements yielding the average fidelity (N+1)/(N+2) for N particle system corresponds to the standard…

Quantum Physics · Physics 2009-10-31 Z. Hradil , M. Dusek

The path integral, which generates in-in correlation functions of a scalar field in a cosmological spacetime, is shown to admit nontrivial classical solutions as stationary phases. Although the solutions exist for Lorentzian signature,…

High Energy Physics - Theory · Physics 2013-06-04 Ali Kaya

We show how the time-continuous coherent state path integral breaks down for both the single-site Bose-Hubbard model and the spin path integral. Specifically, when the Hamiltonian is quadratic in a generator of the algebra used to construct…

Quantum Physics · Physics 2011-03-18 Justin H. Wilson , Victor Galitski

The spin coherent state path integral describing the dynamics of a spin-1/2-system in a magnetic field of arbitrary time-dependence is considered. Defining the path integral as the limit of a Wiener regularized expression, the semiclassical…

Quantum Physics · Physics 2008-11-26 Adrian Alscher , Hermann Grabert

The coherent-state path-integral representation for the propagator of fermionic systems subjected to first-class constraints is constructed. As in the bosonic case the importance of path-integral measures for Lagrange multipliers is…

High Energy Physics - Theory · Physics 2007-05-23 Georg Junker , John R. Klauder

We consider quantum tunnelling in asymmetric double-well systems for which the local minima in the two wells have the same energy, but the frequencies differ slightly. We derive a generalization of instanton theory for these asymmetric…

Chemical Physics · Physics 2020-09-04 Elena Jahr , Gabriel Laude , Jeremy O. Richardson

The decay rates of quasistable states in quantum field theories are usually calculated using instanton methods. Standard derivations of these methods rely in a crucial way upon deformations and analytic continuations of the physical…

High Energy Physics - Theory · Physics 2016-12-07 Anders Andreassen , David Farhi , William Frost , Matthew D. Schwartz