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International Journal of Quantum Chemistry

On rotations as special cases of unitary transformations with some applications to the theory of spin

Per‐Olov Löwdin

Published Jan 5, 1992• 2 citations
Publisher

Abstract

Abstract Some problems in elementary geometry are approached from the point of view of linear algebra and generalized to the theory of linear spaces of finite or infinite dimensions having a positive definite binary product. The angle ω between two elements of the linear space is defined from the concept of length by means of the cosine‐theorem. A rotation is then defined as a special case of a unitary transformation moving all elements the same angle ω, except that under certain circumstances, some elements may stay invariant. In the former case, one speaks of a rotation around an “external axis,” and in the latter case, of a rotation around an “internal axis” defined by the invariant elements. It is shown that the finite rotations U of both types may be expressed in the simple exponential form U = exp(iωm), where the “generator” m in the former case is an operator satisfying the relation m2 = 1, and in the latter case, m3 = m. The structure of the group of finite rotations in the former case is clarified in some detail. As an illustration of the theory, some applications to the three‐ and two‐dimensional spaces as well as to the theory of spin are given. The coupling between the ordinary three‐dimensional rotations and the spinor transformations is considered in somewhat greater detail.

DOI
10.1002/qua.560410117

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Abstract Some problems in elementary geometry are approached from the point of view of linear algebra and generalized to the theory of linear spaces of finite or infinite dimensions having a positive definite binary product. The angle ω between two elements of the linear space is defined from the concept of length by means of the cosine‐theorem. A rotation is then defined as a special case of a unitary transformation moving all elements the same angle ω, except that under certain circumstances, some elements may stay invariant. In the former case, one speaks of a rotation around an “external axis,” and in the latter case, of a rotation around an “internal axis” defined by the invariant elements. It is shown that the finite rotations U of both types may be expressed in the simple exponential form U = exp(iωm), where the “generator” m in the former case is an operator satisfying the relation m2 = 1, and in the latter case, m3 = m. The structure of the group of finite rotations in the former case is clarified in some detail. As an illustration of the theory, some applications to the three‐ and two‐dimensional spaces as well as to the theory of spin are given. The coupling between the ordinary three‐dimensional rotations and the spinor transformations is considered in somewhat greater detail.
This paper is mainly focused on the description of an approach for establishing a spinorial representation of linear canonical transformations. It can be considered as a continuation of our previous works concerning linear canonical transformations and phase space representation of quantum theory. The said method is based on the development of an adequate parameterization of linear canonical transformations which permits to represent them with special pseudo-orthogonal transformations. Obtaining this pseudo-orthogonal representation makes it possible to establish the spinorial representation exploiting the well-known relation existing between special pseudo-orthogonal and spin groups. The cases of one dimension and general multidimensional theories are both studied. The design of the pseudo-orthogonal transformation associated to a linear canonical transformation is achieved by introducing adequate operators which are linear combinations of reduced momentum and coordinate operators. It is shown that a linear canonical transformation is equivalent to a special pseudo-orthogonal transformation defined in the set formed by these adequate operators. The spinorial representation is then deduced by defining a composite operator which is linear combinations of the tensorial products of the generators of the Clifford algebra with the adequate operators defining the special pseudo-orthogonal representation. It is established that unlike the case of a spinorial representation associated with an ordinary commutative vector space, the main invariant corresponding to the transformation is not the square of the composite operator but a higher degree polynomial function of it.
The irreducible representations of the three-dimensional rotation group are obtained directly from the irreducible representations of its infinitesimal generators (the spin matrices), parametrized in terms of the rotation angle and the direction of the rotation axis. Expressions are given for the rotation operator exp(iψn ⋅ S) in terms of two different bases of 2j+1 elements for spin j. The results are related to the spectral decomposition of the rotation operator and expressions obtained for spin projection operators along any spatial direction for arbitrary spin.
Berry phases for spin are defined for any closed loop made by a vector changing direction in three-dimensional space. A sequence of rotations moves the vector along the loop. Each rotation is around the axis perpendicular to the moving vector. The Berry phases come from the eigenvalues of the unitary operator for the product of these rotations. The angle of the product rotation is shown to be the solid angle enclosed by the loop. The proof uses the ordinary language of quantum mechanics. The product is calculated from the commutation relations for spin. A general framework is set up to define Berry phases for other transformations and states like those for rotations and spin. The integral formula is derived. Alternatives for dynamics are shown to provide different applications and interpretations of the same mathematics. An example is used to show how one Hamiltonian may be simpler than others. Adiabatic evolution is obtained in the limit as a coupling constant goes to zero, so the adiabatic changes are made by a weak perturbation that acts over a long time. The Berry phase is the same whether the coupling constant is large or small. A rationale for the definition of Berry phases is obtained from any of the alternatives for dynamics. It is particularly clear in both the limit of adiabatic evolution, where the Hamiltonian does not contain the operator that generates Berry phases, and the opposite extreme where the Hamiltonian is the operator that generates Berry phases. The latter is illustrated with an example for spin. The general definition of Berry phases and the method of calculating them are illustrated by obtaining Berry phases from Lorentz transformations. They are similar to those obtained from rotations. A vector traces a loop on a unit hyperboloid instead of the unit sphere. In place of the solid angle, the Berry phases contain the analogous measure of the area enclosed by the loop on the hyperboloid. The sign is opposite what it is for rotations. The general definition is shown to fit any unitary representation of a semisimple Lie group. The complete set of commuting operators is chosen to contain a basis for a Cartan subalgebra of the Lie algebra of generators. If a sequence of transformations by unitary operators in the group representation takes each operator in the Cartan subalgebra around a loop in the Lie algebra back to the same operator, it can be made by unitary operators in the group representation that have all the properties required for the definition of Berry phases. The loops are made by vectors moving in a real space, the Lie algebra. The motion of the vectors must maintain the lengths and angles defined by the Cartan metric of the Lie algebra. The Berry phases are determined by one loop made by one suitably chosen operator from the Cartan subalgebra.
For pedagogical purposes it is demonstrated that with little effort the customary discussion of rotations in introductory courses can be extended to naturally produce a number of angular momentum operator properties, if coordinate-free rotation operators are used in their exponential form. This form gives rise to a particularly useful coordinate-free representation of the generators of rotations in three-space, from which the student can derive the usual angular momentum formalism for the case j=1 by elementary vector algebra alone. Since in this approach the j=1 formalism appears as a set of relations among simple geometric objects in ordinary space, it admits of a geometric interpretation and will leave the student better prepared for a more profound appreciation of the abstract concepts of the full theory.
An Alternative Approach to Rotations In the preceding chapters, we have discussed the standard view of the quantum theory of angular momentum. The present chapter is concerned with developing a new view of the subject starting from the beginning with a fresh look at rotations based on a viewpoint adapted primarily from Hamilton [1], but also partly from Klein and Sommerfeld [2] and from Wigner [3] (see Note 1). This new survey will be rewarded by the concept of a novel geometric entity – the turn – which in its quantal version (Chapter 5) will be realized by an elementary operator structure. In discussing this alternative viewpoint, we are primarily interested in motivation and in suggesting concepts. Accordingly, we shall proceed, at first, intuitively. When reduced to fundamentals, the concept of an elementary (point) particle in physics (as discussed in Chapter 1) becomes synonymous with the fundamental symmetries assumed to characterize physical space. We have seen that, from the homogeneity and isotropy assumed for space, one induces the symmetries of spatial displacements (translations) and rotations; that is, one assumes that space is Euclidean and three-dimensional, having the isometry group, E (3), of rotations and translations. It is quite easy to characterize translations, since three-dimensional translations necessarily (Artin [4]) form an abelian (commutative) group. For physics, the translation generator is the (Hermitian) momentum operator p , and the associated operator generating finite displacements is realized by U ( a ) = exp(– i a · p / ħ ). This operator displaces the system by the (numerical) vector a .
As in classical mechanics, rotation in quantum mechanics is a transformation which deals with angular momentum. The difference with classical mechanics comes from the fact that angular momentum is a vector operator and not a usual vector and its components do not commute. As for any transformation in quantum mechanics, to each rotation we can associate an operator which acts in state space. The expression of this operator depends on whether the rotation is passive, that is we do a rotation of the coordinate axes and the physical system is left unchanged, or active, in which case the coordinate axes are unchanged and the rotation is performed on the physical system. In the first part (Chaps. 1 and 2) of this book, details concerning both aspects are given. Following the definition of the geometrical transformation associated with the most general rotation, we give the expression of the rotation operator for specific cases. Transformation laws for scalar fields, vector fields and spinor fields are given as well as transformation laws for scalar operators, vector operators and more generally, for operators of any rank. The second part (Chaps. 3 and 4) deals with angular momentum algebra. We define the coupling coefficients of 2, 3 and 4 angular momenta as well as the recoupling coefficients. The definition of the irreductible tensor operator, which is a generalisation of scalar and vector operators, is given as well as the Wigner-Eckart theorem. The application of this theorem to more complex cases is studied.