Quantum Mechanical Path Integral Research Articles

Plasma screening of nuclear fusion reactions in liquid layers of compact degenerate stars: a first-principle study

ABSTRACT A reliable description of nuclear fusion reactions in inner layers of white dwarfs and envelopes of neutron stars is important for realistic modelling of a wide range of observable astrophysical phenomena from accreting neutron stars to Type Ia supernovae. We study the problem of screening of the Coulomb barrier impeding the reactions by a plasma surrounding the fusing nuclei. Numerical calculations of the screening factor are performed from the first principles with the aid of quantum-mechanical path integrals in the model of a one-component plasma of atomic nuclei for temperatures and densities typical for dense liquid layers of compact degenerate stars. We do not rely on various quasi-classic approximations widely used in the literature, such as factoring out the tunnelling process, tunnelling in an average spherically symmetric mean-force potential, usage of classic free energies and pair correlation functions, linear mixing rule, and so on. In general, a good agreement with earlier results from the thermonuclear limit to Γ ∼ 100 is found. For a very strongly coupled liquid 100 ≲ Γ ≤ 175, a deviation from currently used parametrizations of the reaction rates is discovered and approximated by a simple analytic expression. The developed method of nuclear reaction rate calculations with account of plasma screening can be extended to ion mixtures and crystallized phases of stellar matter.

The response field and the saddle points of quantum mechanical path integrals

In quantum statistical mechanics, Moyal’s equation governs the time evolution of Wigner functions and of more general Weyl symbols that represent the density matrix of arbitrary mixed states. A formal solution to Moyal’s equation is given by Marinov’s path integral. In this paper we demonstrate that this path integral can be regarded as the natural link between several conceptual, geometric, and dynamical issues in quantum mechanics. A unifying perspective is achieved by highlighting the pivotal role which the response field, one of the integration variables in Marinov’s integral, plays for pure states even. The discussion focuses on how the integral’s semiclassical approximation relates to its strictly classical limit; unlike for Feynman type path integrals, the latter is well defined in the Marinov case. The topics covered include a random force representation of Marinov’s integral based upon the concept of “Airy averaging”, a related discussion of positivity-violating Wigner functions describing tunneling processes, and the role of the response field in maintaining quantum coherence and enabling interference phenomena. The double slit experiment for electrons and the Bohm–Aharonov effect are analyzed as illustrative examples. Furthermore, a surprising relationship between the instantons of the Marinov path integral over an analytically continued (“Wick rotated”) response field, and the complex instantons of Feynman-type integrals is found. The latter play a prominent role in recent work towards a Picard–Lefschetz theory applicable to oscillatory path integrals and the resurgence program.

Computing real time correlation functions on a hybrid classical/quantum computer

Quantum devices may overcome limitations of classical computers in studies of nuclear structure functions and parton Wigner distributions of protons and nuclei. In this talk, we discuss a worldline approach to compute nuclear structure functions in the high energy Regge limit of QCD using a hybrid quantum computer, by expressing the fermion determinant in the QCD path integral as a quantum mechanical path integral over 0 + 1-dimensional fermionic and bosonic world-lines in background gauge fields. Our simplest example of computing the well-known dipole model result for the structure function F2 in the high energy Regge limit is feasible with NISQ era technology using few qubits and shallow circuits. This example can be scaled up in complexity and extended in scope to compute structure functions, scattering amplitudes and other real-time correlation functions in QCD, relevant for example to describe non-equilibrium transport of quarks and gluons in a Quark-Gluon-Plasma.

Monodromy of complexified planar Kepler 问题

Motivated by semi-classical analysis of path integrals in supersymmetric quantum field theory and quantum mechanics and inspired by the recent progress on central configurations in celestial mechanics, we complexify the classical planar Kepler 问题 which is a holomorphic completely integrable Hamiltonian system. The novelty is that this holomorphic integrable Hamiltonian system has nontrivial monodromy, which is different from the traditional planar Kepler 问题. We also propose a 猜想 about the whole monodromy group and some possible further directions including the physical implications of such nontrivial monodromies.

Deeply inelastic scattering structure functions on a hybrid quantum computer

We outline a strategy to compute deeply inelastic scattering structure functions using a hybrid quantum computer. Our approach takes advantage of the representation of the fermion determinant in the QCD path integral as a quantum mechanical path integral over 0+1-dimensional fermionic and bosonic worldlines. The proper time evolution of these worldlines can be determined on a quantum computer. While extremely challenging in general, the problem simplifies in the Regge limit of QCD, where the interaction of the worldlines with gauge fields is strongly localized in proper time and the corresponding quantum circuits can be written down. As a first application, we employ the Color Glass Condensate effective theory to construct the quantum algorithm for a simple dipole model of the $F_2$ structure function. We outline further how this computation scales up in complexity and extends in scope to other real-time correlation functions.

A differential Galois approach to path integrals

We point out the relevance of the differential Galois theory of linear differential equations for the exact semiclassical computations in path integrals in quantum mechanics. The main tool will be a necessary condition for complete integrability of classical Hamiltonian systems obtained by Ramis and myself [Morales-Ruiz and Ramis, Methods Appl. Anal. 8, 33–96 (2001); see also Morales-Ruiz, in Differential Galois Theory and Non-Integrability of Hamiltonian Systems, Modern Birkhäuser Classics (Springer, Basel, 1999)]; if a finite dimensional complex analytical Hamiltonian system is completely integrable with meromorphic first integrals, then the identity component of the Galois group of the variational equation around any integral curve must be abelian. A corollary of this result is that, for finite dimensional integrable Hamiltonian systems, the semiclassical approach is computable in a closed form in the framework of the differential Galois theory. This explains in a very precise way the success of quantum semiclassical computations for integrable Hamiltonian systems.

Three routes to relativistic kinematics and time dilation and their connection to quantum-mechanical path integrals

The first calculation, similar to that of Lewis of 1908, takes as postulates Newton’s second law of motion and work-energy equivalence, the second makes use of the Hamilton–Jacobi equation for motion in free space and the third identifies the velocity of a freely moving particle with the group velocity of its associated de Broglie wave. In all cases the equivalence of mass and energy is also postulated. How the path integral formulation of quantum mechanics relates all the different calculations is demonstated. The essential roles of relativity, quantum mechanics and the particulate nature of light in the establishment of the current standard units of length, time and mass, are discussed, as well as the similar relations of the fundamental constants c, h and k to energy at the microscopic physics level.

Derivation of the quantum-optical master equation based on coarse-graining of time

This is a derivation of the quantum-optical master equation using coarse-graining of time, which aims at exploring Markovian evolution from a microscopic perspective. Here, coarse-graining refers to finding an approximate evolution operator by integrating over a time step Δt, and considering the field states to be approximated by a similarly coarse-grained basis. By using these ideas and keeping the field states coarse-grained throughout the derivation, I explore the past-future independence of the quantum white noise formalism explicitly. Namely, that a quantum-optical system interacting with a vacuum field may be viewed as sequentially interacting with a series of initially uncorrelated and temporally coarse-grained vacuum states—this process leads to correlations only between the system and the time bins which have interacted with the system in the past, along with a Markovian evolution of the reduced system state. The derivation here may also be viewed in terms of a type of quantum-mechanical path integral.

Heat kernel asymptotics, path integrals and infinite-dimensional determinants

We compare the short-time expansion of the heat kernel on a Riemannian manifold with the formal stationary phase expansion of its representing path integral and prove that these asymptotic expansions coincide. Besides shedding light on the formal properties of quantum mechanical path integrals, this shows that the lowest order term of the heat kernel expansion is given by the Fredholm determinant of the Hessian of the energy functional on the space of finite energy paths. We also relate this to the zeta determinant of the Jacobi operator, considering both the near-diagonal asymptotics as well as the behavior at the cut locus.

Integral transforms of the quantum mechanical path integral: Hit function and path-averaged potential.

We introduce two integral transforms of the quantum mechanical transition kernel that represent physical information about the path integral. These transforms can be interpreted as probability distributions on particle trajectories measuring respectively the relative contribution to the path integral from paths crossing a given spatial point (the hit function) and the likelihood of values of the line integral of the potential along a path in the ensemble (the path-averaged potential).

Uncertainty principle in loop quantum cosmology by Moyal formalism

In this paper, we derive the uncertainty principle for the loop quantum cosmology homogeneous and isotropic Friedmann-Lemaiter-Robertson-Walker model with the holonomy-flux algebra. The uncertainty principle is between the variables c, with the meaning of connection and μ having the meaning of the physical cell volume to the power 2/3, i.e., v2/3 or a plaquette area. Since both μ and c are not operators, but rather the random variables, the Robertson uncertainty principle derivation that works for hermitian operators cannot be used. Instead we use the Wigner-Moyal-Groenewold phase space formalism. The Wigner-Moyal-Groenewold formalism was originally applied to the Heisenberg algebra of the quantum mechanics. One can derive it from both the canonical and path integral quantum mechanics as well as the uncertainty principle. In this paper, we apply it to the holonomy-flux algebra in the case of the homogeneous and isotropic space. Another result is the expression for the Wigner function on the space of the cylindrical wave functions defined on Rb in c variables rather than in dual space μ variables.

Quantum mechanical path integrals in curved spaces and the type-A trace anomaly

Path integrals for particles in curved spaces can be used to compute trace anomalies in quantum field theories, and more generally to study properties of quantum fields coupled to gravity in first quantization. While their construction in arbitrary coordinates is well understood, and known to require the use of a regularization scheme, in this article we take up an old proposal of constructing the path integral by using Riemann normal coordinates. The method assumes that curvature effects are taken care of by a scalar effective potential, so that the particle lagrangian is reduced to that of a linear sigma model interacting with the effective potential. After fixing the correct effective potential, we test the construction on spaces of maximal symmetry and use it to compute heat kernel coefficients and type-A trace anomalies for a scalar field in arbitrary dimensions up to d = 12. The results agree with expected ones, which are reproduced with great efficiency and extended to higher orders. We prove explicitly the validity of the simplified path integral on maximally symmetric spaces. This simplified path integral might be of further use in worldline applications, though its application on spaces of arbitrary geometry remains unclear.

Differentiable-path integrals in quantum mechanics

A method is presented which restricts the space of paths entering the path integral of quantum mechanics to subspaces of Cα, by only allowing paths which possess at least α derivatives. The method introduces two external parameters, and induces the appearance of a particular time scale ϵD such that for time intervals longer than ϵD the model behaves as usual quantum mechanics. However, for time scales smaller than ϵD, modifications to standard formulation of quantum theory occur. This restriction renders convergent some quantities which are usually divergent in the time-continuum limit ϵ → 0. We illustrate the model by computing several meaningful physical quantities such as the mean square velocity 〈v2〉, the canonical commutator, the Schrödinger equation and the energy levels of the harmonic oscillator. It is shown that an adequate choice of the parameters introduced makes the evolution unitary.

Path-integral approach to the Wigner-Kirkwood expansion

We study the high-temperature behavior of quantum-mechanical path integrals. Starting from the Feynman-Kac formula, we derive a functional representation of the Wigner-Kirkwood perturbation expansion for quantum Boltzmann densities. As shown by its applications to different potentials, the presented expansion turns out to be quite efficient in generating analytic form of the higher-order expansion coefficients. To put some flesh on the bare bones, we apply the expansion to obtain basic thermodynamic functions of the one-dimensional anharmonic oscillator. Further salient issues, such as generalization to the Bloch density matrix and comparison with the more customary world-line formulation, are discussed.

Anomalous paths in quantum mechanical path-integrals

We investigate modifications of the discrete-time lattice action, for a quantum mechanical particle in one spatial dimension, that vanish in the naïve continuum limit but which, nevertheless, induce non-trivial effects due to quantum fluctuations. These effects are seen to modify the geometry of the paths contributing to the path-integral describing the time evolution of the particle, which we investigate through numerical simulations. In particular, we demonstrate the existence of a modified lattice action resulting in paths with any fractal dimension, df, between one and two. We argue that df=2 is a critical value, and we exhibit a type of lattice modification where the fluctuations in the position of the particle becomes independent of the time step, in which case the paths are interpreted as superdiffusive Lévy flights. We also consider the jaggedness of the paths, and show that this gives an independent classification of lattice theories.

A new perspective on path integral quantum mechanics in curved space–time

We present a new approach to path integral quantum mechanics in curved space–time for a scalar particle, expressed in terms of local curvature described by Fermi or Riemann normal coordinates. This approach correctly recovers the curved space–time free-particle Lagrangian, along with new terms that reveal a simultaneous breakdown of time-reversal symmetry and the weak equivalence principle at the particle's Compton wavelength scale. The formalism reveals a further prediction of a gravitational analogue of the Aharonov–Bohm effect and Berry's phase.

Timeless path integral for relativistic quantum mechanics

Starting from the canonical formalism of relativistic (timeless) quantum mechanics, the formulation of a timeless path integral is rigorously derived. The transition amplitude is reformulated as the sum, or functional integral, over all possible paths in the constraint surface specified by the (relativistic) Hamiltonian constraint, and each path contributes with a phase identical to the classical action divided by ℏ. The timeless path integral manifests the timeless feature as it is completely independent of the parametrization for paths. For the special case that the Hamiltonian constraint is a quadratic polynomial in momenta, the transition amplitude admits the timeless Feynman's path integral over the (relativistic) configuration space. Meanwhile, the difference between relativistic quantum mechanics and conventional nonrelativistic (with time) quantum mechanics is elaborated on in light of the timeless path integral.

Derivation of the harmonic oscillator propagator using the Feynman path integral and recursive relations

We present the simplest and most straightforward derivation of the one-dimensional harmonic oscillator propagator, using the Feynman path integral and recursive relations. Our calculations have pedagogical benefits for those undergraduate students beginning to learn the path integral in quantum mechanics, in that they can follow its calculations very simply with only elementary mathematical manipulation. Further, our calculations do not require cumbersome matrix algebra.

Van der Waals interactions: Corrections from radiation in fluids

We consider induced van der Waals interactions with corrections due to radiation in fluids consisting of polarizable hard spheres. The fluctuating polarizations are quantized while the positions of particles are treated classically. First the well known result for the induced Casimir free energy for a pair of particles is used to establish the resulting free energy at low density. The Casimir interaction includes the full effect of the quantized radiating electromagnetic field. Then the situation with electrostatic dipole-dipole interactions is considered for general density. For this situation the induced interactions are the van der Waals interactions, and we evaluate numerically the free energy based upon analytic results obtained earlier. These analytic results were obtained by extending methods of classical statistical mechanics to the path integral of quantum mechanics. We have realized that these methods can be extended to time-dependent interactions too. Thus we here also make the extension to the radiating dipole-dipole interaction between pairs of particles to obtain explicit results for more arbitrary fluid densities, and radiation corrections to the induced free energy are found both analytically and numerically.

Efficient methods and practical guidelines for simulating isotope effects

The shift in chemical equilibria due to isotope substitution is frequently exploited to obtain insight into a wide variety of chemical and physical processes. It is a purely quantum mechanical effect, which can be computed exactly using simulations based on the path integral formalism. Here we discuss how these techniques can be made dramatically more efficient, and how they ultimately outperform quasi-harmonic approximations to treat quantum liquids not only in terms of accuracy, but also in terms of computational cost. To achieve this goal we introduce path integral quantum mechanics estimators based on free energy perturbation, which enable the evaluation of isotope effects using only a single path integral molecular dynamics trajectory of the naturally abundant isotope. We use as an example the calculation of the free energy change associated with H/D and (16)O/(18)O substitutions in liquid water, and of the fractionation of those isotopes between the liquid and the vapor phase. In doing so, we demonstrate and discuss quantitatively the relative benefits of each approach, thereby providing a set of guidelines that should facilitate the choice of the most appropriate method in different, commonly encountered scenarios. The efficiency of the estimators we introduce and the analysis that we perform should in particular facilitate accurate ab initio calculation of isotope effects in condensed phase systems.