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INTEGRATION TECHNIQUES IN THE PATH INTEGRAL QUANTUM TRAJECTORY MODEL

Victor Turpin

Published Jan 1, 2019• 0 citations
OpenAlex

Abstract

The path integral technique is an alternative formulation of quantum mechanics that is based on a Lagrangian approach. In its exact form, it is completely equivalent to the Hamiltonian-based Schrödinger equation approach. We have used the path integral formalism to develop our Path Integral Quantum Trajectory (PIQTr) model for use in the study of charged particle dynamics. One of the challenges of the PIQTr model is the need to integrate a highly oscillatory function. Here we explore the application of several integration techniques for use in the PIQTr model and benchmark their computational requirements.

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The path integral technique is an alternative formulation of quantum mechanics that is based on a Lagrangian approach. In its exact form, it is completely equivalent to the Hamiltonian-based Schrödinger equation approach. We have used the path integral formalism to develop our Path Integral Quantum Trajectory (PIQTr) model for use in the study of charged particle dynamics. One of the challenges of the PIQTr model is the need to integrate a highly oscillatory function. Here we explore the application of several integration techniques for use in the PIQTr model and benchmark their computational requirements.
The path integral technique is an alternative formulation of quantum mechanics that is based on a Lagrangian approach. In its exact form, it is completely equivalent to the Hamiltonian-based Schrödinger equation approach. We have used the path integral formalism to develop our Path Integral Quantum Trajectory (PIQTr) model for use in the study of charged particle dynamics. We will present results for several one-dimensional systems, and demonstrate the method's ability to analyze individual trajectories and their influence on the total probability amplitude. We will also show how the range of included trajectories can affect the time evolution of the wave function, resulting in interference fringes reminiscent of those observed with single slit Fresnel diffraction.
Heavy-ion charged particle collisions have important applications in fields such as astrophysics, biophysics, and plasma physics, and from a fundamental standpoint, provide valuable information about the few-body problem. Current theoretical atomic collision models work well for electron projectiles, but heavy-ion projectiles continue to present a challenge for even the most advanaced models. To help address these challenges, we have developed the Path Integral Quantum Trajectory (PIQTr) model for the calculation of time-dependent wave functions. The method is numerically exact and has been successfully applied to particles moving in one dimension. These results show a favorable scaling in computational requirements as the mass of the projectile increases, and in general, the model has been shown to work well for heavy ions. We have now extended our method to charged particles moving in two dimensions. Here we present time-dependent numerical results for various different charged particles and discuss applications to heavy-ion atomic collisions.
In this thesis we are investigating a different formalism of non-relativistic quantum mechanics called the path integral formalism.It is a generalization of the classical least action principle.The introduction to this subject begins with the construction of the path integral in terms of the idea of probability amplitudes whose absolute square gives the probability of finding a system in a particular state.Then we show that if the Lagrangian is a quadratic form one needs only to calculate the classical action besides from a time-dependent normalization constant to find the explicit expression of the path integral.We look in to the subject of two kinds of slit-experiments: The square slit, the single-and the double-Gaussian slit.Also, the propagator for constrained paths is calculated and applied to the Aharonov-Bohm effect, which shows that the vector potential defined in classical electrodynamics have a physical meaning in quantum mechanics.It is also shown that the path integral formulation is equivalent to the Schrödinger description of quantum mechanics, by deriving the Schrödinger equation from the path integral.Further applications of the path integral are discussed.
In this thesis we are investigating a different formalism of non-relativistic quantum mechanics called the path integral formalism. It is a generalization of the classical least action principle. The introduction to this subject begins with the construction of the path integral in terms of the idea of probability amplitudes whose absolute square gives the probability of finding a system in a particular state. Then we show that if the Lagrangian is a quadratic form one needs only to calculate the classical action besides from a time-dependent normalization constant to find the explicit expression of the path integral. We look in to the subject of two kinds of slit-experiments: The square slit, the single- and the double-Gaussian slit. Also, the propagator for constrained paths is calculated and applied to the Aharonov-Bohm effect, which shows that the vector potential defined in classical electrodynamics have a physical meaning in quantum mechanics. It is also shown that the path integral formulation is equivalent to the Schrödinger description of quantum mechanics, by deriving the Schrödinger equation from the path integral. Further applications of the path integral are discussed.
The conventional approach to quantum mechanics begins with the classical Hamiltonian and changes observables to noncommuting operators. Canonically conjugate observables have to be noncommuting operators in order to satisfy the Heisenberg uncertainty principle. The dynamics of a quantum mechanical system is given by the time-dependent Schrödinger equation. In the early 1940s Feynman realized that it would be possible to construct a quantum model using the classical Lagrangian approach (a method closely related to the action integral). Dirac had earlier pointed out that eit times the Lagrangian was analogous to a transformation function for the wave function in which the wave function at one instant could be related to the wave function at a next instant in a time interval of t by multiplying with such an exponential function. Feynman found the exponential phase factor to be the action S which is the time integral of the Lagrangian. Further, he noticed that it was necessary to perform integrals over all space variables at every instant of time to find the transition amplitudes. He developed a way for describing and evaluating the integration using the idea of integral over all paths. In Feynman’s approach, the particles are described using amplitudes calculated along the paths they may or may not follow. These amplitudes behave like waves, their phase changes as the quantum system moves along the path and the amplitudes for all paths superpose and interfere. This interference between all paths is called as sum-over-histories and the resulting amplitude is connected in the same way that the amplitude of a wave function is linked to probability as magnitude-squared.
To introduce the formalism of the functional integral in quantum mechanics, this chapter starts from the definition of the temporal evolution operator. It is important to emphasize that in the classical limit is not only the classic trajectory that have the grater contribution, but all the paths close to this also contribute. The chapter shows how integral formulation is perfectly consistent with Schrödinger's time-dependent differential equation. It retrieves this equation from definition of transition amplitude as a path integral. The chapter discusses functional derivative generalized to the case of the ordinary functional derivative. A very useful tool to solve problems related to functional integrals is the Wick rotation or Euclidean rotation. In quantum mechanics there are few problems we can solve exactly, and very often, when possible, we use perturbation theory to find an approximate solution. The chapter follows this approach with formalism of functional integration and construct a perturbation theory from which can be obtained a physical interpretation.