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IntechOpen eBooks

Matrix Formulation of Quantum Dynamics

Duojie Jia, Latai You

Published Sep 15, 2026• 0 citations
Publisher

Abstract

Quantum mechanics can be formulated either in terms of matrix mechanics or in terms of wave mechanics. This chapter centers on a discussion of the historical origins, mathematical structure, and extension to non-Hermitian quantum theory of matrix mechanics. The development of atomic discrete spectra and the old quantum theory showed that classical mechanics could not account for the discreteness of atomic energy levels and spectral lines, which motivated Heisenberg, Born, Jordan, and others to establish matrix mechanics centered on noncommuting physical quantities. Combining the Bohr atomic model, angular momentum quantization, and radiative transitions, one can see how matrix mechanics describes the energy level structure and quantum transitions of atomic systems, and how the Heisenberg equation of motion gives the fundamental form of quantum dynamics. The example of the harmonic oscillator further shows that the discreteness of the energy spectrum can be obtained directly from the matrix method, thereby establishing a clear connection among transition frequencies, matrix elements, and radiation-induced transitions. The matrix representation corresponds to the operator theory in Hilbert space, where state vectors, inner products, complete bases, and spectral decomposition constitute the fundamental mathematical framework of quantum mechanics. For closed quantum systems, physical observables are generally required to be represented by Hermitian or self-adjoint operators, so as to ensure that their eigenvalues possess the physically acceptable property of being real numbers. The Hermiticity of an operator is also closely related to its domain and boundary conditions, which provides a mathematical possibility for the emergence of non-Hermitian Hamiltonians. Based on these discussions, this chapter further explains how non-Hermitian dynamics is connected with open systems, dissipative processes, and special boundary conditions, thereby demonstrating the natural connection between traditional matrix mechanics and modern non-Hermitian quantum theory.

DOI
10.5772/intechopen.1016284

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Quantum mechanics can be formulated either in terms of matrix mechanics or in terms of wave mechanics. This chapter centers on a discussion of the historical origins, mathematical structure, and extension to non-Hermitian quantum theory of matrix mechanics. The development of atomic discrete spectra and the old quantum theory showed that classical mechanics could not account for the discreteness of atomic energy levels and spectral lines, which motivated Heisenberg, Born, Jordan, and others to establish matrix mechanics centered on noncommuting physical quantities. Combining the Bohr atomic model, angular momentum quantization, and radiative transitions, one can see how matrix mechanics describes the energy level structure and quantum transitions of atomic systems, and how the Heisenberg equation of motion gives the fundamental form of quantum dynamics. The example of the harmonic oscillator further shows that the discreteness of the energy spectrum can be obtained directly from the matrix method, thereby establishing a clear connection among transition frequencies, matrix elements, and radiation-induced transitions. The matrix representation corresponds to the operator theory in Hilbert space, where state vectors, inner products, complete bases, and spectral decomposition constitute the fundamental mathematical framework of quantum mechanics. For closed quantum systems, physical observables are generally required to be represented by Hermitian or self-adjoint operators, so as to ensure that their eigenvalues possess the physically acceptable property of being real numbers. The Hermiticity of an operator is also closely related to its domain and boundary conditions, which provides a mathematical possibility for the emergence of non-Hermitian Hamiltonians. Based on these discussions, this chapter further explains how non-Hermitian dynamics is connected with open systems, dissipative processes, and special boundary conditions, thereby demonstrating the natural connection between traditional matrix mechanics and modern non-Hermitian quantum theory.
This chapter introduces Heisenberg’s trajectory from old quantum mechanics towards his quantum matrix mechanics. It shows his partnership with Born and for the study of the helium atom and molecules under the old quantum theory and his work on the core model to account for the anomalous Zeeman effect in collaboration with Landé. The collaboration between Heisenberg Kramers to present the treatment between matter and radiation under the scope of the old quantum mechanics is also displayed. Then, afterwards, it is shown the birth of the matrix mechanics by its three initial papers in 1925: the Heisenberg’s paper where he replaced the motion of the electron into its transition; the Born and Jordan’s paper where they placed Heisenberg equation into matrices and found the corresponding equation of motion and the commutator between linear momentum and position of the electron; the Heisenberg, Jordan and Born’s paper where they obtained the diagonal elements of the Hamiltonian matrix (the energy of a quantum state) and its application to one-electron harmonic oscillator. Dirac’s contribution to matrix mechanics is also introduced followed the application in the quantum angular momentum (184 words).
A diagonalizable non-Hermitian Hamiltonian having a real spectrum may be used to define a unitary quantum system, if one modifies the inner product of the Hilbert space properly. We give a comprehensive and essentially self-contained review of the basic ideas and techniques responsible for the recent developments in this subject. We provide a critical assessment of the role of the geometry of the Hilbert space in conventional quantum mechanics to reveal the basic physical principle motivating our study. We then offer a survey of the necessary mathematical tools, present their utility in establishing a lucid and precise formulation of a unitary quantum theory based on a non-Hermitian Hamiltonian, and elaborate on a number of relevant issues of fundamental importance. In particular, we discuss the role of the antilinear symmetries such as [Formula: see text], the true meaning and significance of the so-called charge operators [Formula: see text] and the [Formula: see text]-inner products, the nature of the physical observables, the equivalent description of such models using ordinary Hermitian quantum mechanics, the pertaining duality between local-non-Hermitian versus nonlocal-Hermitian descriptions of their dynamics, the corresponding classical systems, the pseudo-Hermitian canonical quantization scheme, various methods of calculating the (pseudo-) metric operators, subtleties of dealing with time-dependent quasi-Hermitian Hamiltonians and the path-integral formulation of the theory, and the structure of the state space and its ramifications for the quantum Brachistochrone problem. We also explore some concrete physical applications and manifestations of the abstract concepts and tools that have been developed in the course of this investigation. These include applications in nuclear physics, condensed matter physics, relativistic quantum mechanics and quantum field theory, quantum cosmology, electromagnetic wave propagation, open quantum systems, magnetohydrodynamics, quantum chaos and biophysics.
The quantum theoretical description of microscopic systems discussed so far is based on differential operators and the solution of the underlying eigenvalue equations. This approach is called Schrödinger approach or wave mechanics. Heisenberg developed another equivalent approach called matrix mechanics. Because the trajectory of an electron is unobservable and moreover line spectra implied discrete allowed states, Heisenberg discarded the idea of electron orbits and formulated a theory for line spectra of excited systems based on observables. When Heisenberg arranged the allowed set of transitions in a matrix form, to his surprise, each element of the matrix was found to be related to the probability of a particular transition. This gave the birth to matrix mechanics. Then Heisenberg, Born and Jordan worked out the rules of these matrices.
Chapter 3 introduces the student to the matrix formulation of quantum mechanics, pioneered by Heisenberg in collaboration with Born and Jordan. It provides the basic formal elements of the Heisenberg description in terms of operators and their matrix representation, derives the Heisenberg inequality, and applies the formalism to the harmonic oscillator as a central and particularly simple quantum problem. It introduces the state vectors and their Hilbert space, and concludes with a brief discussion hinting at the physical significance of the replacement of classical continuous dynamical variables with operators as a manifestation of the coupling of the particle to the radiation field.
In the 1920s, the old quantum theory was gradually being superseded by the new quantum theory. The cornerstone of the old theory was Bohr’s model of the hydrogen atom, which predicted that an electron cannot orbit the proton in the hydrogen atom in any arbitrary fashion. Orbits are “quantized,” meaning that only certain sizes, shapes, and magnetic properties are allowed. The principal quantum number n determined the allowed radii of the orbits, the orbital quantum number l determined the allowed shapes, and the magnetic quantum number m determined the magnetic behavior. Additionally, there is a fourth quantum number s which denotes the fact that the electron has an additional angular momentum, loosely associated with self rotation about its own axis, and that is quantized in units of (1/2)~. The old quantum theory was useful to infer the existence of discrete energy levels in atoms, calculate energy spacings between these levels, and therefore allowed one to interpret atomic spectra. The new quantum theory appeared to be more revolutionary and more powerful. It was triggered by Heisenberg’s discovery of matrix mechanics and Schro¨dinger’s discovery of wave mechanics. These two formalisms would not only predict the quantization of energy and provide a prescription to determine the energy difference between the levels (and thus explain the multiplicity of atomic spectra), but also allow one to calculate easily probabilities of transitions between different quantized energy states. At first, matrix mechanics and wave mechanics looked entirely different in their mathematical appearance and physical meaning. However, Schro¨dinger and Eckart [1] independently showed that the two theories are mathematically equivalent. Toward the end of 1926, Dirac unified the two theories using the concept of state vector and thus established the transformation theory of quantum mechanics. This ultimately had a profound implication for the quantum mechanical (mathematical) recipe to treat spin, as we will show in this chapter. The transformation theory is the mathematical recipe to handle modern quantum mechanics. In Heisenberg’s matrix mechanics, a physical quantity is expressed by a matrix, whereas in Schro¨dinger’s wave mechanics, a physical quantity is expressed by a linear operator. In the unified transformation theory, physical quantities are represented by abstract linear operators called Dirac’s q-numbers, which are linear operators in an infinite-dimensional linear space. Depending upon which types of orthogonal coordinate systems are used in this linear space, either matrix mechanics or wave mechanics emerges.
This chapter presents the origins of quantum mechanics. The story of how people hit on the highly non-intuitive world picture of quantum mechanics, in which the physical state of a system is represented by an element in an abstract linear space and its observable properties by operators in the space, is fascinating and exceedingly complicated. The much greater change from the classical world picture of Newtonian mechanics and general relativity to the quantum world picture came in many steps taken by many people, often against the better judgment of participants. There are three major elements in the story. The first is the experimental evidence that the energy of an isolated system can only assume special discrete or quantized values. The second is the idea that the energy is proportional to the frequency of a wave function associated with the system. The third is the connection between the de Broglie relation and energy quantization through the mathematical result that a wave equation with fixed boundary conditions allows only discrete quantized values of the frequency of oscillation of the wave function (as in the fundamental and harmonics of the vibration of a violin string).