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Angular momentum wave functions constructed by projection operators. Technical Note No. 12

Per‐Olov Löwdin

Published May 10, 1958• 0 citations

Abstract

The conventional method of constructing wave functions of pure angular momentum for a composite system is based on the idea of coupling the angular momenta of the constituents. Instead of this synthetic method, an analytical approach is here introduced. It is pointed out that an arbitrary trial wave function for the total system in a unique way must be resolvable into orthogonal components of pure angular momentum associated with different quantum numbers. A particular component can be selected by means of certain 'projection operators', which annihilate all components except the one desired. Such a projection operator is simply a product of commuting factors, each one of which annihilates a specific eigenfunction to the angular momentum under consideration. Physically this idea is of importance, since one can now start out from a rough model wave function based essentially on qualitative arguments, for instance of the independent-particle type, and then obtain a mathematically and physically much better trial function by selecting the particular component of the original function which has the correct symmetry type desired. The projection operators are studied in some detail both as products and in expanded form. The case of degenerate subspaces of the same angular momentum quantum numbers is discussed, and the problem of constructing an orthogonal subset of functions is solved by a simple elimination procedure; the connection with the conventional seniority idea is briefly discussed.

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The conventional method of constructing wave functions of pure angular momentum for a composite system is based on the idea of coupling the angular momenta of the constituents. Instead of this synthetic method, an analytical approach is here introduced. It is pointed out that an arbitrary trial wave function for the total system in a unique way must be resolvable into orthogonal components of pure angular momentum associated with different quantum numbers. A particular component can be selected by means of certain 'projection operators', which annihilate all components except the one desired. Such a projection operator is simply a product of commuting factors, each one of which annihilates a specific eigenfunction to the angular momentum under consideration. Physically this idea is of importance, since one can now start out from a rough model wave function based essentially on qualitative arguments, for instance of the independent-particle type, and then obtain a mathematically and physically much better trial function by selecting the particular component of the original function which has the correct symmetry type desired. The projection operators are studied in some detail both as products and in expanded form. The case of degenerate subspaces of the same angular momentum quantum numbers is discussed, and the problem of constructing an orthogonal subset of functions is solved by a simple elimination procedure; the connection with the conventional seniority idea is briefly discussed.

Formulas are obtained which give the matrix representation, relative to a product basis, of the projection operator for the total angular momentum of a system. If the individual angular momenta are not too large, the matrix elements depend upon a small number of parameters, independent of the number of angular momenta coupled. Recurrence relations between elements and symmetry properties of elements are derived. These results enable one to perform the vector coupling of a large number of angular momenta in a relatively simple fashion. The connection between the matrix elements and vector coupling coefficients is discussed. Several important special cases are treated in detail.

Angular momentum is a very important and revealing property of many physical systems. In classical mechanics the principle of conservation of angular momentum is a powerful aid to the solution of such problems as the orbits of planets and satellites and the behaviour of gyroscopes and tops. The role of angular momentum in quantum mechanics is probably even more important and this will be the subject of the present chapter and the next. We shall find that the operators representing the components of angular momentum do not commute with each other, although they all commute with the operator representing the total angular momentum. It follows that no pair of these components can be measured compatibly and we shall therefore look for a set of eigenfunctions that are common to the operators representing the total angular momentum and one of its components. We shall find that the angular momentum eigenvalues always form a discrete set and that, in the case of a central field, the operators commute with the Hamiltonian, implying that the total angular momentum and one component can be measured compatibly with the energy in this case, so that their values, once measured, remain constant in time. Consideration of angular momentum will also enable us to make predictions about the behaviour of atoms in magnetic fields, and we shall find that these are in agreement with experiment only if we assume that the electron (in common with many other fundamental particles) has an intrinsic “spin” angular momentum in addition to the “orbital” angular momentum associated with its motion. The interaction between spin and orbital angular momenta leads to detailed features of the atomic spectra which are known as “fine structure.” We shall also use the measurement of angular momentum to illustrate the quantum theory of measurement discussed in the previous chapter.

We introduce here a new coupling scheme for three angular momenta. It relies on the properties of an operator which depends ``democratically'' upon the three individual angular momenta; this is in fact their mixed product. This operator, the total angular momentum and one of its components form a complete set of commuting observables. In the case where the three individual angular momenta are equal, the eigenstates of this set possess remarkable symmetry properties with respect to the permutation group S3.

The recent two papers have successively proposed the concepts and more precise expressions of strict conservation or statistical conservation of physical quantities, which are different from the expression of a conserved quantity in quantum mechanics. The Hamiltonian operator of the system discussed in this paper are independent of time, so it is commutative with the operators of an angular momentum itself, its component and its square, so that all these quantities are conserved quantities. In an isolated composite system, one of the angular momentum components of the total system are strictly conserved, while the angular momentum components of the subsystems can only be conserved statistically, both of which can be expressed in terms of eigenvalues and eigenfunctions. Generally, angular momentum itself does not have eigenvalues and eigenfunctions, so it cannot be expressed as strict conservation in terms of these concepts. Although there are eigenvalues and eigenfunctions for the square of angular momentum, they cannot express strict conservation either. And they can only be expressed as statistical conservation.

The goal of Quantum Mechanics I, A Problem Text, is to enable students to solve problems appropriate to their first course in quantum mechanics. Significantly detailed solutions to traditionally posed problems dominate. Theory and rationale are addressed in prescript and postscript narratives and/or within the solved problems to guide students; and clarify vocabulary, symbology, and terminology. Applications of the postulates are presented initially using arguments from linear algebra appropriate to discrete systems with low-dimensional vectors and matrix operators, introducing orthogonality, orthonormality, Hermiticity, eigenvectors, eigenvalues, probability, expectation value, and degeneracy. These arguments blend into infinite-dimensional vectors and operators, and calculus-based arguments for continuous systems where delta functions, theta functions, and Fourier transforms are initially discussed. Dirac notation is fully developed within these first five chapters. Chapter six discusses Ehrenfest’s theorem, the Heisenberg uncertainty relations, and Gaussian wave functions and wave packets. Increasingly sophisticated potential energy functions are then treated to include the free particle, the infinite square well, the one-dimensional scattering state, the simple harmonic oscillator, the finite square well, orbital angular momentum, and the hydrogen atom. Ladder operators are featured in the developments of the simple harmonic oscillator and orbital angular momentum. The diversity of narratives and detailed solutions intend