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Group representation theory and quantum physics

Olivier Pfister

Published Jan 1, 2003• 0 citations
OpenAlex

Abstract

This is a basic tutorial on the use of group representation theory in quantum physics, in particular for such systems as molecules and crystals, which forms the basis of spectroscopic studies in physics and chemistry. Note that, despite the now venerable character of the aforementioned scientific endeavors, group representation theory still finds interesting and novel applications, such as the hidden subgroup problem in quantum computing, which will be presented elsewhere.

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•Jan 1, 2004•52 citations
This is a basic tutorial on the use of group representation theory in quantum physics, in particular for such systems as molecules and crystals, which forms the basis of spectroscopic studies in physics and chemistry. Note that, despite the now venerable character of the aforementioned scientific endeavors, group representation theory still finds interesting and novel applications, such as the hidden subgroup problem in quantum computing, which will be presented elsewhere.
his graduate-level text develops the aspects of group theory most relevant to physics and chemistry (such as the theory of representations) and illustrates their applications to quantum mechanics. The first five chapters focus chiefly on the introduction of methods, illustrated by physical examples, and the final three chapters offer a systematic treatment of the quantum theory of atoms, molecules, and solids.The formal theory of finite groups and their representation is developed in Chapters 1 through 4 and illustrated by examples from the crystallographic point groups basic to solid-state
Few, if any, applications of quantum technology are as widely known as the quantum simulation of quantum matter. Consequently, many interesting questions have been sparked at the intersection of condensed matter, quantum chemistry, and quantum computing. Given the common mathematical foundation of these subjects, we walk through the necessary group theory and representation theory serving as background in all of these fields. Our discussion will include a full development of the mathematics of identical particles and the mechanics of describing systems of identical particles in both first and second quantization schemes. This chapter is an offshoot of a larger work that provides a graduate-level introduction to quantum information science. This chapter is being released separately because it is not explicitly focused on quantum information. It has grown beyond a short digression into a full-fledged journey into the symmetries and representations of identical particles that we invite you, the reader, to join.
Bastidas et al. (2025) highlighted the importance of exploiting group symmetries to reduce computational overhead and unify simulation methods across both condensed matter physics and ab initio quantum chemistry. I discuss the discrete character transform, which is the group Fourier transform restricted to Z(C[G])Z(\mathbb{C}[G])Z(C[G]), the center of the group algebra, where class functions form a commutative convolution algebra and irreducible characters are its spectral basis. The normalized character table of a non-abelian group can be obtained through a restriction operator, which means an efficient quantum character transform for any finite group with an efficient quantum Fourier transform. I give complementary quantum algorithms for class convolution based on direct class-sum block encoding and spectral implementation in the character basis, explaining their applications to symmetry-adapted many-body dynamics, molecular and spectroscopic symmetry analysis, and quantum walks, as well as characterizing the central information used in hidden-subgroup problems, including its limitations for graph isomorphism.
Many quantum algorithms, including Shor's celebrated factoring and discrete log algorithms, proceed by reduction to a hidden subgroup problem, in which an unknown subgroup H of a group G must be determined from a quantum state ψ\psiψ over G that is uniformly supported on a left coset of H. These hidden subgroup problems are typically solved by Fourier sampling: the quantum Fourier transform of ψ\psiψ is computed and measured. When the underlying group is nonabelian, two important variants of the Fourier sampling paradigm have been identified: the weak standard method, where only representation names are measured, and the strong standard method, where full measurement (i.e., the row and column of the representation, in a suitably chosen basis, as well as its name) occurs. It has remained open whether the strong standard method is indeed stronger, that is, whether there are hidden subgroups that can be reconstructed via the strong method but not by the weak, or any other known, method. In this article, we settle this question in the affirmative. We show that hidden subgroups H of the q-hedral groups, i.e., semidirect products Zq⋉Zp{\mathbb Z}_q \ltimes {\mathbb Z}_pZq​⋉Zp​, where q∣(p−1)q \mid (p-1)q∣(p−1), and in particular the affine groups ApA_pAp​, can be information-theoretically reconstructed using the strong standard method. Moreover, if ∣H∣=p/polylog(p)|H| = p/ {\rm polylog}(p)∣H∣=p/polylog(p), these subgroups can be fully reconstructed with a polynomial amount of quantum and classical computation. We compare our algorithms to two weaker methods that have been discussed in the literature—the “forgetful” abelian method, and measurement in a random basis—and show that both of these are weaker than the strong standard method. Thus, at least for some families of groups, it is crucial to use the full power of representation theory and nonabelian Fourier analysis, namely, to measure the high-dimensional representations in an adapted basis that respects the group's subgroup structure. We apply our algorithm for the hidden subgroup problem to new families of cryptographically motivated hidden shift problems, generalizing the work of van Dam, Hallgren, and Ip on shifts of multiplicative characters. Finally, we close by proving a simple closure property for the class of groups over which the hidden subgroup problem can be solved efficiently.
What is the common thing between some integers and symmetries of an equilateral triangle? How studying rotations on a circle helps us understand quantum mechanics? Groups and their representations provide an amazing framework for many physics and chemistry theories. Understanding how certain groups act on physical systems, both classical and quantum, helps us to build models and make predictions. In this talk, we discover how abstract mathematical notions such as groups and representation theory and counterintuitive nature of quantum mechanics come together to guide us in our journey to explore the world we live in. This talk is designed to be accessible to any person with some understanding of calculus and a little bit of linear algebra.
Many quantum algorithms, including Shor's celebrated factoring and discrete log algorithms, proceed by reduction to a hidden subgroup problem, in which a unknown subgroup H of a group G must be determined from a quantum state ψ over G that is uniformly supported on a left coset of H. These hidden subgroup problems are typically solved by Fourier sampling: the quantum Fourier transform of ψ is computed and measured. When the underlying group is nonabelian, two important variants of the Fourier sampling paradigm have been identified: the weak standard method, where only representation names are measured, and the strong standard method, where full measurement (i.e., the row and column of the representation as well as its name) occurs. It has remained open whether the strong method is indeed stronger, that is, whether there are hidden subgroups that can be reconstructed via the strong method but not by the weak, or any other known, method.In this article, we settle this question in the affirmative. We show that hidden subgroups of semidirect products of the form ℤq × ℤp, where q | (p - 1) and q = p/polylog(p), can be efficiently determined by the strong standard method. Furthermore, the weak standard method and the "forgetful" abelian method are insufficient for these groups so that, in fact, it appears that use of the corresponding nonabelian representation theory is crucial. We extend this to an informationtheoretic solution for the hidden subgroup problem over the groups ℤq × ℤp where q | (p - 1) and, in particular, the affine groups Ap. Finally, we prove a simple closure property for the class of groups over which the hidden subgroup problem can be solved efficiently.