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Fortschritte der Physik

Quantum Mechanics of H‐Atom from Path Integrals

I. H. Duru, Hagen M. Kleinert

Published Jan 1, 1982• 166 citations
Publisher

Abstract

Abstract The quantum mechanical Coulomb problem in two and three dimensions is solved completely in terms of path integrals. We derive the integral representations for the Green's functions in configuration space and recover the wave functions from factorized residues.
DOI
10.1002/prop.19820300802

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Abstract In Chapter 2, a path integral representation of the quantum operator e-β H in the case of Hamiltonians H of the separable form p2/2m + V(q) has been constructed. Here, the construction is extended to Hamiltonians that are more general functions of phase space variables. This results in integrals over paths in phase space involving the action expressed in terms of the classical Hamiltonian H(p,q). However, it is shown that, in the general case, the path integral is not completely defined, and this reflects the problem that the classical Hamiltonian does not specify completely the quantum Hamiltonian, due to the problem of ordering quantum operators in products. When the Hamiltonian is a quadratic function of the momentum variables, the integral over momenta is Gaussian and can be performed. In the separable example, the path integral of Chapter 2 is recovered. In the case of the charged particle in a magnetic field a more general form is found, which is ambiguous, since a problem of operator ordering arises, and the ambiguity must be fixed. Hamiltonians that are general quadratic functions provide other important examples, which are analysed thoroughly. Such Hamiltonians appear in the quantization of the motion on Riemannian manifolds. There, the problem of ambiguities is even more severe. The problem is illustrated by the analysis of the quantization of the free motion on the sphere SN−1.
The Hamiltonian of the three-dimensional hydrogen atom is reduced, in parabolic coordinates, to the Hamiltonians of two bidimensional harmonic oscillators, by doing several space-time transformations,separating the movement along the three parabolic directions (ξ,η,φ), and introducing two auxiliary angular variables ψ and ψ′, 0≤ψ, ψ′≤2π. The Green’s function is developed into partial Green’s functions, and expressed in terms of two Green’s functions that describe the movements along both the ξ and η axes. Introducing auxiliary Hamiltonians allows one to calculate the Green’s function in the configurational space, via the phase-space evolution function of the two-dimensional harmonic oscillator. The auxiliary variables ψ and ψ′ are eliminated by projection. The thus-obtained Green’s function, save for a multiplicating factor, coincides with that calculated following the path-integral formalism.
The path integral formulation of quantum mechanics generalizes the action principle of classical mechanics. The Feynman path integral is, roughly speaking, a sum over all possible paths that a particle can take between fixed endpoints, where each path contributes to the sum by a phase factor involving the action for the path. The resulting sum gives the probability amplitude of propagation between the two endpoints, a quantity called the propagator. Solutions of the Feynman path integral formula exist, however, only for a small number of simple systems, and modifications need to be made when dealing with more complicated systems involving singular potentials, including the Coulomb potential. We derive a generalized path integral formula, that can be used in these cases, for a quantity called the pseudo-propagator from which we obtain the fixed-energy amplitude, related to the propagator by a Fourier transform. The new path integral formula is then successfully solved for the Hydrogen atom in two and three dimensions, and we obtain integral representations for the fixed-energy amplitude.
Introduction Preliminary remarks The path integral formalism is one of the most important tools in modern theoretical physics. Integration in functional spaces was considered for the first time by Norbert Wiener in his studies of diffusion processes [60, 61]. The corresponding integration measure is now known as the Wiener measure, i.e. the so-called Gaussian path integrals were studied. In quantum mechanics, functional integrals were introduced by R. Feynmann [62, 63] who was inspired by important observations due to P. A. M. Dirac concerning a relation between wave function and classical action [64, 65]. In modern physics the path integral formalism is applied not only to developing a quantum description for systems with infinitely many degrees of freedom as, for example, in quantum field theories or condensed matter physics, but also to ordinary quantum mechanical problems. Moreover there is a tendency to reformulate standard quantum mechanical problems (such as a particle in a “box” or potential well [66, 67], or a particle in the Coulomb field [68]) within the framework of the path integral method. The reason for doing this is rather obvious: physicists develop a new mathematical tool, a new language and, in order to comprehend all of its subtleties, it is necessary to investigate as many concrete examples as possible. Use of the path integral formalism is widespread in quantum field theory because it is the most adequate mathematical tool for a wide range of problems which allows, not only for elegant formulation of problems, but also for a great deal of simplification of their theoretical analysis.
Chapter 2 constructed a path integral representation of the matrix elements of the statistical operator e-βH. This chapter extends the construction to hamiltonians which are general functions of phase space variables. This results in integrals over trajectories or paths in phase space. When the hamiltonian is quadratic in the momentum variables, the integral over momenta is gaussian and can be performed. In the separable example, the path integral of Chapter 2 is recovered. In the case of the charged particle in a magnetic field a more general form is found, which is somewhat ambiguous, reflecting the problem of order between quantum operators. Hamiltonians which are general quadratic functions of momentum variables provide other important examples, and these are analyzed thoroughly. Such hamiltonians arise in the quantization of the motion on Riemannian manifolds. The analysis is illustrated by the quantization of the free motion on the sphere SN-1.