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arXiv:1310.5136

On the symmetry of the quantum-mechanical particle in a cubic box

Francisco Marcelo Fernández

Published Oct 18, 2013• 9 citations
arXivHTMLPDF

Abstract

In this paper we show that the point-group (geometrical) symmetry is insufficient to account for the degeneracy of the energy levels of the particle in a cubic box. The discrepancy is due to hidden (dynamical symmetry). We obtain the operators that commute with the Hamiltonian one and connect eigenfunctions of different symmetries. We also show that the addition of a suitable potential inside the box breaks the dynamical symmetry but preserves the geometrical one.The resulting degeneracy is that predicted by point-group symmetry.

DOI
10.48550/arxiv.1310.5136

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In this paper we show that the point-group (geometrical) symmetry is insufficient to account for the degeneracy of the energy levels of the particle in a cubic box. The discrepancy is due to hidden (dynamical symmetry). We obtain the operators that commute with the Hamiltonian one and connect eigenfunctions of different symmetries. We also show that the addition of a suitable potential inside the box breaks the dynamical symmetry but preserves the geometrical one.The resulting degeneracy is that predicted by point-group symmetry.
When the symmetry group of a quantum particle in an impenetrable cubic well potential is considered to be the group, systematic accidental degeneracy appears. This degeneracy becomes natural when a new symmetry group, embedding the group, is proposed. This new group turns out to be the semidirect product , where is a two-dimensional compact continuous group whose generators correspond to linear combinations of the one-dimensional Hamiltonians. The systematic degeneracy is studied in detail, the new group is identified and its irreducible representations are constructed by means of induction, an approach that allows the irreducibility and completeness to be assured. Similar to the hydrogen atom, we establish a one-to-one reciprocation between the energy and the new group irreducible representations. The impenetrable rectangular and square boxes are also analyzed as a reduction of symmetry from the cubic system. Pythagorean degeneracy as well as that due to commensurable sides is not considered.
A quantum particle in a impenetrable cubic well potential presents accidental degeneracy when the group is considered to be the symmetry group of the system. This degeneracy becomes natural when a new symmetry group, embedding the group, is proposed. This new group turns out to be the semidirect product , where is a two-dimensional compact continuous group whose generators correspond to linear combinations of the one-dimensional Hamiltonians. The systematic degeneracy is studied in detail, the new group is identified and its irreducible representations (irreps) are constructed by means of induction, an approach that allows the irreducibility and completeness to be assured. Pythagorean degeneracy as well as the one due to commensurable sides are not considered.
We present some essential results for the Hamiltonian of a particle in a box. We discuss the invariance of this operator under time-reversal T, the possibility of choosing real eigenfunctions for it and the degeneracy of its energy eigenvalues. Once these results have been presented, we introduce the usual nondegeneracy theorem and discuss some issues surrounding it. We find that the nondegeneracy theorem is true if the boundary conditions are T-invariant but "confining" (i.e., the particle is in a real impenetrable box). If the boundary conditions are not T-invariant (belonging to a family of so-called "not confining" boundary conditions), the respective eigenfunctions are strictly complex and there is no degeneracy. Consistently, we verify the validity of the theorem also in this case. Finally, if the boundary conditions are also T-invariant, but "not confining", then we can have degeneracy in the energy levels only if the respective eigenfunctions can be specifically written as complex. We find that the nondegeneracy theorem fails in these cases. If the respective eigenfunctions can be written as only real, then we do not have degeneracy and the nondegeneracy theorem is true.
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.
In this paper we revisit the problem of finding hidden symmetries in quantum mechanical systems. Our interest in this problem was renewed by nontrivial degeneracies of a simple spin Hamiltonian used to model spin relaxation in alkali-metal vapours. We consider this spin Hamiltonian in detail and use this example to outline a general approach to finding symmetries when eigenvalues and eigenstates of the Hamiltonian are known. We extract all nontrivial symmetries responsible for the degeneracy and show that the symmetry group of the Hamiltonian is SU (2). The symmetry operators have a simple meaning which becomes transparent in the limit of large spin. As an additional example we apply the method to the hydrogen atom.