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American Journal of Physics

Phase shifts of the three-dimensional spherically symmetric square well potential

Paul H. E. Meijer, James Repace

Published May 1, 1975• 4 citations
Publisher

Abstract

Although the general properties of the phase shift of the three-dimensional spherically symmetrical square well potential are described in most textbooks on quantum mechanics, specific graphical representations of this function are rare. In this paper we present a number of phase shifts, as a function of energy, for the various values of the angular momentum quantum number. We discuss the general features of these curves. In particular, we consider what happens to the phase shifts if one varies the depth of the well, not only for near-zero energy, but for the entire range of energies. We describe how the bound levels of a deep well are related to the virtual levels of the shallow well. We find points of triple coincidence for curves belonging to three successive l values for given well depth. A proof of this phenomenon is given.

DOI
10.1119/1.9806

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Although the general properties of the phase shift of the three-dimensional spherically symmetrical square well potential are described in most textbooks on quantum mechanics, specific graphical representations of this function are rare. In this paper we present a number of phase shifts, as a function of energy, for the various values of the angular momentum quantum number. We discuss the general features of these curves. In particular, we consider what happens to the phase shifts if one varies the depth of the well, not only for near-zero energy, but for the entire range of energies. We describe how the bound levels of a deep well are related to the virtual levels of the shallow well. We find points of triple coincidence for curves belonging to three successive l values for given well depth. A proof of this phenomenon is given.
By solving the Schrodinger equations in three-dimensional (3D) and two-dimensional (2D) finite depth center spherically symmetric square potential well, the eigenequations of bounded energy levels and their distributions are obtained, and the analytical solution for any bound state wave function is given. Both the eigenequations of the energy levels as well as the stationary state wave functions are closely related to the (spherical) Bessel functions. It is found that for the 3D case, there exists a bound solution when 2μa2V0/ħ2>π2/4 is present. While for the 2D case, there exists a bound state if 2μa2V0/ħ2>0.1993. Finally, numerical methods are used to analyze the characteristics of probability density distribution of different quantum states. It is found that in both three-dimensional and two-dimensional situations, the maximum number of probability density distributions inside the well corresponds exactly to the quantum number n. The larger n or the smaller α is, the higher the probability of discovering particles outside the well. In addition, the angular momentum quantum number l or m can characterize the degree to which particles deviate from the center or the uniform distribution.
This paper solves the wavefunctions and energy level formulas of two types of three-dimensional infinite deep cubic potential wells and three-dimensional infinite deep spher-ical potential wells, and studies their degeneracy to elucidate how symmetry governs energy level degeneracy in quantum systems. For the cubic potential well, the potential energy inside the cube is zero, and outside the cube is infinite. Solving the Schrödinger equation shows that the energy is determined by the total of the squares of three quantum numbers (nx, ny, nz). Degeneracy occurs when different combinations of quantum numbers produce the same sum of squares, which reflects cubic symmetry, i.e., the equivalence of the x, y, and z directions, such that permuted states are physically identical. For the spherical potential well, the poten-tial energy inside the sphere is zero, and outside the sphere is infinite. The wavefunction can be devided into angular and radial parts. The energy depends on the radial quantum number n and the angular momentum quantum number l, and degeneracy arises from the magnetic quantum number m, which ranges from −l to l. Since the potential energy of the spherical potential well is independent of direction, it has spherical symmetry, which leads to degen-eracy of magnitude 2l + 1-fold. To summarize, the degeneracy of the cubic potential well originates from its cubic symmetry, while that of the spherical potential well originates from its spherical symmetry. This highlights the central role of symmetry in quantum energy level degeneracy.
The computation of allowed energy levels for a particle bounded to a finite square well potential is ubiquitous in modern physics and introductory quantum mechanics textbooks. For stationary bound states, the matching conditions for the wave functions lead to a pair of transcendental equations whose roots correspond to the energy eigenvalues. However, the graphical solutions available do not make clear the dependence of the energies on the well potential parameters. In this note, I present a simpler graphical solution involving only one dimensionless parameter that determines a straight-line crossing identical sinusoidal curves. I then reduce this solution to a single cosine curve, and from a three-point interpolation, I derive an approximate formula for all energy levels valid for any square quantum well and that demands only a pocket calculator.
The ground-state energies and wave functions of a particle moving in one-dimensional potentials of the form V(x)=x2p, p=1,2,..., are obtained nearly exactly by iterative solution of the Schrödinger equation. These solutions are used as the ‘‘experimental benchmark’’ against which approximate solutions for the general case are tested. Both finite depth wells and infinitely deep wells are studied, as is the three-dimensional version (spherical symmetry, angular momentum quantum number l=0). The approach is aimed at student exploration of the physics of the family of potential wells, with emphasis upon connecting the familiar extreme cases, V(x)=x2 (simple harmonic oscillator) and the limiting case xk, k→∞ (square well).
To clarify the relation of energy shifts to scattering phase shifts in one-body and many-body problems, we examine their relation in a number of different situations. We derive, for a particle in a container of arbitrary shape with a short-range scattering center, a general result for the energy eigenvalues in terms of the s-wave scattering phase shift and the eigenstates in the absence of the scatterer. We show that, while the energy shifts for a spherical container are proportional to the phase shift over large ranges, those for a cubic container have a more complicated behavior. We connect our result to the description of energy shifts in terms of the scattering T-matrix. The general relation is extended to problems of particles in traps with smoothly varying potentials, including, e.g., the interaction of a small neutral atom with a Rydberg atom. We then consider the many-body problem for particles with a two-body interaction and show that the free energy change due to the interaction is proportional to an average of a generalized phase shift that includes the effects of the medium. Finally, we discuss why, even though individual energy levels are very sensitive to boundary conditions, the energy of a many-body system is not.