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Journal of Mathematical Physics

Symmetry of the Ground Level of a Hamiltonian

Walter H. Kleiner, T. A. Kaplan

Published Feb 1, 1969• 5 citations
Publisher

Abstract

A general connection between nodelessness and symmetry of a function is pointed out. It is proved that a real nodeless energy eigenfunction with energy E has a nonzero part which also is an eigenfunction with energy E and which under coordinate transformations has the full symmetry of the Hamiltonian. This result can be applied to many systems of physical interest for which the ground-state energy eigenfunction is known from the nature of the Hamiltonian to be nodeless. Simple counterexamples are given however, to show that not all Hamiltonians have a nodeless ground-state energy eigenfunction.

DOI
10.1063/1.1664838

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The density operator (density matrix) of a quantum mechenical system can be decomposed into operators which transform as irreducible representations of the symmetry group in coordinate and spin space. Each of these components has a physical meaning connected with the expectation values of certain operators. The reduced density matrices can be decomposed in a completely analogous way. The symmetry properties of the total wave function give rise to degeneracies of the eigenvalues of the reduced density matrices. These degeneracies can be removed by requiring that the natural spin orbitals (NSO, defined as the eigenfunctions of the first-order density matrix), as well as the natural spin geminals (NSG, the eigenfunctions of the second-order density matrix) and their spinless counterparts transform as irreducible representations of the symmetry group and are eigenfunctions of S/sup 2/ and S/sub z/. In many cases this requirement is compatible with the original definition of the NSO, the NSG, etc., e.g., when there is no spatial degeneracy of the total wave function and when the Z- component of the total spin vanishes. When these conditions are not fulfilled an alternative definition of the NSO and the NSG is proposed. (auth)

•Oct 1, 1963•0 citations
A general connection between nodelessness and symmetry of a function is pointed out. It is proved that a real nodeless energy eigenfunction with energy E has a nonzero part which also is an eigenfunction with energy E and which under coordinate transformations has the full symmetry of the Hamiltonian. This result can be applied to many systems of physical interest for which the ground-state energy eigenfunction is known from the nature of the Hamiltonian to be nodeless. Simple counterexamples are given however, to show that not all Hamiltonians have a nodeless ground-state energy eigenfunction.
With a view to obtaining further insight into the nature of eigenvalues and eigenfunctions of a stationary state one-dimensional Schrödinger equation corresponding to a non-Hermitian Hamiltonian H ( x , p ) we investigate the ground-state solutions for a variety of potentials within the framework of an extended complex phase space characterized by x = x 1 + i p 2 , p = p 1 + i x 2 , where ( x 1 , p 1 ) and ( x 2 , p 2 ) are real and considered as canonical pairs. The analyticity property of the eigenfunction alone is found sufficient to throw light on the nature of eigenvalues and eigenfunctions for different systems. It is noted that the imaginary part of the eigenvalue, E i , turns out to be zero for all potentials V ( x ) with real couplings whereas it turns out to be nonzero for the case when the couplings are complex. The prescription is also extended to study the excited states. The problems related to the normalization of the eigenfunction and the boundary conditions to be used within this framework are also discussed.
The spectrum of non-Hermitian Hamiltonians is studied using the point-group symmetries of the Hermitian and non-Hermitian parts of the Hamiltonian. We show that, in principle, the symmetry properties of the Hamiltonian are responsible for the appearance of real eigenvalues in the spectrum of the non-Hermitian Hamiltonian. In practice, however, one must take into account the ``strength'' of the non-Hermitian part of the Hamiltonian. An effective energy-dependent Hermitian Hamiltonian is constructed that has the same real spectrum as the non-Hermitian Hamiltonian. Several properties, including the self-orthogonality of the states at branch points of the spectrum, are proven using this effective representation. An interesting possibility of complex eigenvalues returning to the real axis is exemplified along with several examples of non-Hermitian Hamiltonians with real eigenvalues.
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.
What is a quantum phase transition? Consider a Hamiltonian, H ( g ), whose degrees of freedom reside on the sites of a lattice, and which varies as a function of a dimensionless coupling, g . Let us follow the evolution of the ground state energy of H ( g ) as a function of g . For the case of a finite lattice, this ground state energy will generically be a smooth, analytic function of g . The main possibility of an exception comes from the case when g couples only to a conserved quantity (i.e. H ( g ) = H 0 + gH 1 , where H 0 and H 1 commute). This means that H 0 and H 1 can be simultaneously diagonalized and so the eigenfunctions are independent of g even though the eigenvalues vary with g ; then there can be a level-crossing where an excited level becomes the ground state at g = gc (say), creating a point of nonanalyticity of the ground state energy as a function of g (see Fig. 1.1). The possibilities for an infinite lattice are richer. An avoided level-crossing between the ground and an excited state in a finite lattice could become progressively sharper as the lattice size increases, leading to a nonanalyticity at g = gc in the infinite lattice limit. We shall identify any point of nonanalyticity in the ground state energy of the infinite lattice system as a quantum phase transition: The nonanalyticity could be either the limiting case of an avoided level-crossing or an actual level-crossing.
The density operator (density matrix) of a quantum mechenical system can be decomposed into operators which transform as irreducible representations of the symmetry group in coordinate and spin space. Each of these components has a physical meaning connected with the expectation values of certain operators. The reduced density matrices can be decomposed in a completely analogous way. The symmetry properties of the total wave function give rise to degeneracies of the eigenvalues of the reduced density matrices. These degeneracies can be removed by requiring that the natural spin orbitals (NSO, defined as the eigenfunctions of the first-order density matrix), as well as the natural spin geminals (NSG, the eigenfunctions of the second-order density matrix) and their spinless counterparts transform as irreducible representations of the symmetry group and are eigenfunctions of S/sup 2/ and S/sub z/. In many cases this requirement is compatible with the original definition of the NSO, the NSG, etc., e.g., when there is no spatial degeneracy of the total wave function and when the Z- component of the total spin vanishes. When these conditions are not fulfilled an alternative definition of the NSO and the NSG is proposed. (auth)