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American Journal of Physics

Acceptable Solutions and Boundary Conditions for the Schrödinger and Dirac Equations

Baxter H. Armstrong, Edwin Albert Power

Published Apr 1, 1963• 16 citations
Publisher

Abstract

It is shown that the condition of finiteness at the origin, usually imposed on solutions to the nonrelativistic Schrödinger equation for the hydrogen atom (and some other systems) is not necessary. The quadratically integrable l = 0 “anomalous” solution which is usually excluded in this fashion is not a solution to the Schrödinger equation at the origin, and consequently does not need to be excluded by a boundary or other type condition. The relativistic generalization through the Dirac equation of this anomalous solution is not quadratically integrable. The solution generalized according to the relativistic Schrödinger equation is quadratically integrable and obeys the equation at the origin. Consequently, a boundary or other type condition may still be needed in a general relativistic theory.

DOI
10.1119/1.1969428

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It is shown that the condition of finiteness at the origin, usually imposed on solutions to the nonrelativistic Schrödinger equation for the hydrogen atom (and some other systems) is not necessary. The quadratically integrable l = 0 “anomalous” solution which is usually excluded in this fashion is not a solution to the Schrödinger equation at the origin, and consequently does not need to be excluded by a boundary or other type condition. The relativistic generalization through the Dirac equation of this anomalous solution is not quadratically integrable. The solution generalized according to the relativistic Schrödinger equation is quadratically integrable and obeys the equation at the origin. Consequently, a boundary or other type condition may still be needed in a general relativistic theory.
We revisit the discussion about the boundary condition at the origin in the Schrödinger radial equation for central potentials. We give a transparent and convincing reason for demanding the radial part R(r) of the wave function to be finite at r = 0, showing that if R(0) diverges the complete wave function ψ does not satisfy the full Schrödinger equation. If R(r) is singular, we show that the corresponding ψ follows an equation similar to Schrödinger's, but with an additional term involving the Dirac delta function or its derivatives at the origin. Although, in general, understanding some of our arguments requires certain knowledge of the theory of distributions, the important case of a behavior R ∝ 1/r near r = 0, which gives rise to a normalizable ψ, is especially simple: The origin of the Dirac delta term is clearly demonstrated by using a slight modification of the usual spherical coordinates. The argument can be easily followed by undergraduate physics students.
We show that additional solutions must be ignored (in differences of the Schrödinger and Klein–Gordon equations) in the Dirac equation, where usually the second-order radial equation is passed, called the reduced equation, instead of a system. Analogously to the Schrödinger equation, in this process, the Dirac’s delta function appears, which was unnoted during the full history of quantum mechanics. This unphysical term we remove by a boundary condition at the origin. However, the distribution theory imposes on the radial function strong restriction and by this reason practically for all potentials, even regular, use of these reduced equations is not permissible. At the end, we include consideration in the framework of two-dimensional Dirac equation. We show that even here the additional solution does not survive as a result of usual physical requirements.
Abstract The Klein–Gordon and the Dirac equations are studied as candidates for a relativistic generalisation of the Schrödinger equation. We show that the first is unacceptable because it admits solutions with arbitrarily large negative energy and has no conserved current with positive definite probability density. The Dirac equation on the other hand does have a physically acceptable conserved current, but it too suffers from the presence of negative energy solutions. We show that the latter can be interpreted as describing anti-particles. In either case there is no fully consistent interpretation as a single-particle wave equation and we are led to a formalism admitting an infinite number of degrees of freedom, that is a quantum field theory. We can still use the Dirac equation at low energies when the effects of anti-particles are negligible and we study applications in atomic physics.
The purpose of this chapter is to introduce the Dirac equation, which will provide us with a basis for developing the relativistic quantum mechanics of electronic systems. Thus far we have reviewed some basic features of the classical relativistic theory, which is the foundation of relativistic quantum theory. As in the nonrelativistic case, quantum mechanical equations may be obtained from the classical relativistic particle equations by use of the correspondence principle, where we replace classical variables by operators. Of particular interest are the substitutions In terms of the momentum four-vector introduced earlier, this yields In going from a classical relativistic description to relativistic quantum mechanics, we require that the equations obtained are invariant under Lorentz transformations. Other basic requirements, such as gauge invariance, must also apply to the equations of relativistic quantum mechanics. We start this chapter by reexamining the quantization of the nonrelativistic Hamiltonian and draw out some features that will be useful in the quantization of the relativistic Hamiltonian. We then turn to the Dirac equation and sketch its derivation. We discuss some properties of the equation and its solutions, and show how going to the nonrelativistic limit reduces it to a Schrödinger-type equation containing spin.
We present some simple arguments to show that quantum mechanics operators are required to be self-adjoint. We emphasize that the very definition of a self-adjoint operator includes the prescription of a certain domain of the operator. We then use these concepts to revisit the solutions of the time-dependent Schroedinger equation of some well-known simple problems - the infinite square well, the finite square well, and the harmonic oscillator. We show that these elementary illustrations can be enriched by using more general boundary conditions, which are still compatible with self-adjointness. In particular, we show that a puzzling problem associated with the Hydrogen atom in one dimension can be clarified by applying the correct requirements of self-adjointness. We then come to Stone\'s theorem, which is the main topic of this paper, and which is shown to relate the usual definitions of a self-adjoint operator to the possibility of constructing well-defined solutions of the time-dependent Schrödinger equation.