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Journal of Mathematical Physics

Integral Forms for Quantum-Mechanical Momentum Operators

Peter D. Robinson

Published Nov 1, 1966• 8 citations
Publisher

Abstract

The usual differential form P0 for the quantum-mechanical momentum operator P which is conjugate to a generalized coordinate q (α ≤ q ≤ β) is, in atomic units, P0 = − i(g−½) ∂/∂q (g½), where g is the Jacobian of the transformation from Cartesian to generalized coordinates. However, P0 is not always self-adjoint on the domain 𝒟 of physically acceptable bound-state wavefunctions, as a proper quantum-mechanical operator should be. An integral form is proposed for P, defined by Pf(q)=(2π)−12g−12(q) ∫ −∞∞exp (ikq)kF(k) dk, α≤q≤β,where F(k)=(2π)−12 ∫ αβexp (−ikξ)f(ξ)g12(ξ) dξ, f∈D. The effect of this integral operator (which is suggested by the ideas of Fourier transforms) differs from that of P0 only at the end-points of the range of q. In a sense, it is formally equivalent to an operator (suggested by Robinson and Hirschfelder) which is obtained by adding certain delta-function terms to P0, but it suffers from none of the defects, since delta-functions do not appear explicitly. Various properties of the integral operator are derived. Some discussion of the domain 𝒟 is presented as an appendix.

DOI
10.1063/1.1704889

Related papers

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The usual form P0 for the quantum-mechanical operator P conjugate to a generalized coordinate q1 is, in atomic units, P0=−ig−12 ∂/∂q1(g12),where g is the Jacobian of the transformation from Cartesian coordinates to the generalized coordinates. However, in some cases, this plusible form for P is not Hermitian with respect to physically acceptable bound-state wavefunctions, as it must be if it is to represent a real observable quantity. In this paper, the general form P=−i(A·grad+12 div A)is justified. Here A = h1q̂1, where h1 is the metric scale factor corresponding to q1, and q̂1 is the unit vector in the direction of increasing q1. This general form reduces to P0 if the usual formula for the divergence is applied. In the cases where P0 is not Hermitian, it transpires that q̂1 is ill-defined at one or both of the end points α and β of the range of q1, and the divergence formula is thus invalid at such points. It is shown that, in order to obtain a Hermitian form for P, certain terms involving delta functions similar to Dirac's must be added to the usual formula for div A. These terms can be regarded as implicit in div A. If q̂1 is ill-defined at the lower limit q1 = α, then the resulting new Hermitian form for P, which we propose as the correct one, is P=−i[g−12 ∂/∂q1(g12)+12 δ+(q1−α)]. If q̂1 is, in addition, ill-defined at the upper limit q1 = β, then the extra term +½i δ_(β − q1) must be added. Corresponding new forms are obtained for the Laplacian operator. In addition, the new formulas for P are applied to hypervirial relations. In the Appendix, Charles Goebel obtains a similar expression for the momentum operators by replacing the metric scale function by θg where θ is a step function, unity inside and zero outside the range of definition of the generalized coordinates. The differentiation of θ then produces the delta functions.

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Reality of linear and angular momentum expectation values in bound states

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arXiv:0704.0373•Apr 3, 2007•3 citations
The usual differential form P0 for the quantum-mechanical momentum operator P which is conjugate to a generalized coordinate q (α ≤ q ≤ β) is, in atomic units, P0 = − i(g−½) ∂/∂q (g½), where g is the Jacobian of the transformation from Cartesian to generalized coordinates. However, P0 is not always self-adjoint on the domain 𝒟 of physically acceptable bound-state wavefunctions, as a proper quantum-mechanical operator should be. An integral form is proposed for P, defined by Pf(q)=(2π)−12g−12(q) ∫ −∞∞exp (ikq)kF(k) dk, α≤q≤β,where F(k)=(2π)−12 ∫ αβexp (−ikξ)f(ξ)g12(ξ) dξ, f∈D. The effect of this integral operator (which is suggested by the ideas of Fourier transforms) differs from that of P0 only at the end-points of the range of q. In a sense, it is formally equivalent to an operator (suggested by Robinson and Hirschfelder) which is obtained by adding certain delta-function terms to P0, but it suffers from none of the defects, since delta-functions do not appear explicitly. Various properties of the integral operator are derived. Some discussion of the domain 𝒟 is presented as an appendix.
The usual form P0 for the quantum-mechanical operator P conjugate to a generalized coordinate q1 is, in atomic units, P0=−ig−12 ∂/∂q1(g12),where g is the Jacobian of the transformation from Cartesian coordinates to the generalized coordinates. However, in some cases, this plusible form for P is not Hermitian with respect to physically acceptable bound-state wavefunctions, as it must be if it is to represent a real observable quantity. In this paper, the general form P=−i(A·grad+12 div A)is justified. Here A = h1q̂1, where h1 is the metric scale factor corresponding to q1, and q̂1 is the unit vector in the direction of increasing q1. This general form reduces to P0 if the usual formula for the divergence is applied. In the cases where P0 is not Hermitian, it transpires that q̂1 is ill-defined at one or both of the end points α and β of the range of q1, and the divergence formula is thus invalid at such points. It is shown that, in order to obtain a Hermitian form for P, certain terms involving delta functions similar to Dirac's must be added to the usual formula for div A. These terms can be regarded as implicit in div A. If q̂1 is ill-defined at the lower limit q1 = α, then the resulting new Hermitian form for P, which we propose as the correct one, is P=−i[g−12 ∂/∂q1(g12)+12 δ+(q1−α)]. If q̂1 is, in addition, ill-defined at the upper limit q1 = β, then the extra term +½i δ_(β − q1) must be added. Corresponding new forms are obtained for the Laplacian operator. In addition, the new formulas for P are applied to hypervirial relations. In the Appendix, Charles Goebel obtains a similar expression for the momentum operators by replacing the metric scale function by θg where θ is a step function, unity inside and zero outside the range of definition of the generalized coordinates. The differentiation of θ then produces the delta functions.
It is a commonplace that eigenfunctions in momentum space are the Fourier transform of eigenfunctions in position space. However, if we choose that space for which the relevant variables are chosen canonically conjugate to the position space variables, then the transform is not Fourier, but must involve the Jacobian of transformation between Cartesian coordinates and the curvilinear position space coordinates. (For Cartesian space the transform is Fourier.) In this work we find the correct form of the Hamiltonian in momentum space for the Yukawa potential. It is shown that the potential function in momentum space becomes an operator. The first term is shown to be the Coulomb operator in momentum space, while the remaining terms just mix other hydrogen atom momentum space functions. The resulting eigenvalues are in agreement with the comparable position space results. The analytic behavior of the eigenfunctions is examined. It is shown that all the singularities are poles (the function is meromorphic) and that all the poles lie along the imaginary axis no farther from the origin than p0 (the inverse of the Bohr radius). This result should be of considerable value in simplifying calculations with these functions.
The orthogonality requirement usually specified for the eigenfunctions φ of a quantum-mechanical operator P which has a continuous spectrum of eigenvalues λ, is ∫φ*(λ)φ(λ′) dλ=δ(λ−λ′). The derivation of this result is examined; it is seen to be merely a sufficient, but not a necessary condition for the consistent expansion of a bound-state wavefunction ψ in the form ∫ a(λ)φ(λ) dλ. The situation when P is a generalized momentum operator is investigated in detail. Such operators were discussed in the preceding paper. It is shown that any two of the corresponding momentum eigenfunctions are not usually orthogonal. Nevertheless, with the help of Fourier analysis, a consistent expansion ψ=∫ a(λ)φ(λ) dλ is established. The theory is illustrated with the familiar examples of a ``particle in a box'' and a ground-state hydrogen atom. When a space coordinate has a finite range, a quantum condition can be imposed on the generalized momentum eigenvalues so that the momentum eigenfunctions form a complete discrete orthogonal set. We attempt to justify the belief that such quantization is not essential unless it is necessary to ensure single-valued eigenfunctions.
Although it was in fact the study of the Wigner distribution function that suggested to the author the general problem discussed in Part I, a consideration of the question of the formation of quantum mechanical operators corresponding to dynamical variables, being of fundamental importance to quantum theory, should properly precede a discussion of the Wigner distribution function. In both Parts I and II spin and relativistic effects will be ignored.\nA word about notation is in order. A symbol such as A will denote the quantum mechanical operator corresponding to the dynamical quantity A. For example, H is the Hamiltonian operator; q is the coordinate operator and p the conjugate momentum operator. Whenever there is a possibility of confusion, O(A) is used to represent the operator corresponding to the dynamical quantity A. For example, O(pq) is the operator corresponding to the product pq, and O(H2) is the operator corresponding to the square of the classical Hamiltonian.\nA subscript appearing on a differential operator, such as in 66PH , indicates the function on which the operator acts. Unless otherwise indicated all integrations are to be taken from -infinity to infinity. As usual, h denotes Planck's constant divided by 2pi.\nSince any physical investigation is directly dependent on the quality of the tools used in the investigation, mathematical rigor is much to be desired in physical theory. That rigor has not been achieved in this work is all too obvious, but it was nonetheless a constant goal.
In quantum mechanics textbooks the momentum operator is defined in the Cartesian coordinates and rarely the form of the momentum operator in spherical polar coordinates is discussed. Consequently one always generalizes the Cartesian prescription to other coordinates and falls in a trap. In this work we introduce the difficulties one faces when the question of the momentum operator in spherical polar coordinate comes. We have tried to point out most of the elementary quantum mechanical results, related to the momentum operator, which has coordinate dependence. We explicitly calculate the momentum expectation values in various bound states and show that the expectation value really turns out to be zero, a consequence of the fact that the momentum expectation value is real. We comment briefly on the status of the angular variables in quantum mechanics and the problems related in interpreting them as dynamical variables. At the end, we calculate the Heisenberg's equation of motion for the radial component of the momentum for the Hydrogen atom.