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Mathematical formulation of quantum mechanics

Mathematical structures that allow quantum mechanics to be explained

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These formulations of quantum mechanics continue to be used today. At the heart of the description are ideas of quantum state and quantum observables, which are radically different from those used in previous models of physical reality. While the mathematics permits calculation of many quantities that can be measured experimentally, there is a definite theoretical limit to values that can be simultaneously measured. This limitation was first elucidated by Heisenberg through a thought experiment, and is represented mathematically in the new formalism by the non-commutativity of operators representing quantum observables.

Prior to the development of quantum mechanics as a separate theory, the mathematics used in physics consisted mainly of formal mathematical analysis, beginning with calculus, and increasing in complexity up to differential geometry and partial differential equations. Probability theory was used in statistical mechanics. Geometric intuition played a strong role in the first two and, accordingly, theories of relativity were formulated entirely in terms of differential geometric concepts. The phenomenology of quantum physics arose roughly between 1895 and 1915, and for the 10 to 15 years before the development of quantum mechanics (around 1925) physicists continued to think of quantum theory within the confines of what is now called classical physics, and in particular within the same mathematical structures. The most sophisticated example of this is the Sommerfeld–Wilson–Ishiwara quantization rule, which was formulated entirely on the classical phase space.

History of the formalism

The "old quantum theory" and the need for new mathematics

In the 1890s, Planck was able to derive the blackbody spectrum, which was later used to avoid the classical ultraviolet catastrophe by making the unorthodox assumption that, in the interaction of electromagnetic radiation with matter, energy could only be exchanged in discrete units which he called quanta. Planck postulated a direct proportionality between the frequency of radiation and the quantum of energy at that frequency. The proportionality constant, h, is now called the Planck constant in his honor.

In 1905, Einstein explained certain features of the photoelectric effect by assuming that Planck's energy quanta were actual particles, which were later dubbed photons.

All of these developments were phenomenological and challenged the theoretical physics of the time. Bohr and Sommerfeld went on to modify classical mechanics in an attempt to deduce the Bohr model from first principles. They proposed that, of all closed classical orbits traced by a mechanical system in its phase space, only the ones that enclosed an area which was a multiple of the Planck constant were actually allowed. The most sophisticated version of this formalism was the so-called Sommerfeld–Wilson–Ishiwara quantization. Although the Bohr model of the hydrogen atom could be explained in this way, the spectrum of the helium atom (classically an unsolvable 3-body problem) could not be predicted. The mathematical status of quantum theory remained uncertain for some time.

In 1923, de Broglie proposed that wave–particle duality applied not only to photons but to electrons and every other physical system.

The situation changed rapidly in the years 1925–1930, when working mathematical foundations were found through the groundbreaking work of Erwin Schrödinger, Werner Heisenberg, Max Born, Pascual Jordan, and the foundational work of John von Neumann, Hermann Weyl and Paul Dirac, and it became possible to unify several different approaches in terms of a fresh set of ideas. The physical interpretation of the theory was also clarified in these years after Werner Heisenberg discovered the uncertainty relations and Niels Bohr introduced the idea of complementarity.

The "new quantum theory"

Werner Heisenberg's matrix mechanics was the first successful attempt at replicating the observed quantization of atomic spectra. Later in the same year, Schrödinger created his wave mechanics. Schrödinger's formalism was considered easier to understand, visualize and calculate as it led to differential equations, which physicists were already familiar with solving. Within a year, it was shown that the two theories were equivalent.

Schrödinger himself initially did not understand the fundamental probabilistic nature of quantum mechanics, as he thought that the absolute square of the wave function of an electron should be interpreted as the charge density of an object smeared out over an extended, possibly infinite, volume of space. It was Max Born who introduced the interpretation of the absolute square of the wave function as the probability distribution of the position of a pointlike object. Born's idea was soon taken over by Niels Bohr in Copenhagen who then became the "father" of the Copenhagen interpretation of quantum mechanics. Schrödinger's wave function can be seen to be closely related to the classical Hamilton–Jacobi equation. The correspondence to classical mechanics was even more explicit, although somewhat more formal, in Heisenberg's matrix mechanics. In his PhD thesis project, Paul Dirac discovered that the equation for the operators in the Heisenberg representation, as it is now called, closely translates to classical equations for the dynamics of certain quantities in the Hamiltonian formalism of classical mechanics, when one expresses them through Poisson brackets, a procedure now known as canonical quantization.

Already before Schrödinger, the young postdoctoral fellow Werner Heisenberg invented his matrix mechanics, which was the first correct quantum mechanics – the essential breakthrough. Heisenberg's matrix mechanics formulation was based on algebras of infinite matrices, a very radical formulation in light of the mathematics of classical physics, although he started from the index-terminology of the experimentalists of that time, not even aware that his "index-schemes" were matrices, as Born soon pointed out to him. In fact, in these early years, linear algebra was not generally popular with physicists in its present form.

Although Schrödinger himself after a year proved the equivalence of his wave-mechanics and Heisenberg's matrix mechanics, the reconciliation of the two approaches and their modern abstraction as motions in Hilbert space is generally attributed to Paul Dirac, who wrote a lucid account in his 1930 classic The Principles of Quantum Mechanics. He is the third, and possibly most important, pillar of that field (he soon was the only one to have discovered a relativistic generalization of the theory). In his above-mentioned account, he introduced the bra–ket notation, together with an abstract formulation in terms of the Hilbert space used in functional analysis; he showed that Schrödinger's and Heisenberg's approaches were two different representations of the same theory, and found a third, most general one, which represented the dynamics of the system. His work was particularly fruitful in many types of generalizations of the field.

The first complete mathematical formulation of this approach, known as the Dirac–von Neumann axioms, is generally credited to John von Neumann's 1932 book Mathematical Foundations of Quantum Mechanics, although Hermann Weyl had already referred to Hilbert spaces (which he called unitary spaces) in his 1927 classic paper and 1928 book. It was developed in parallel with a new approach to the mathematical spectral theory based on linear operators rather than the quadratic forms that were David Hilbert's approach a generation earlier. Though theories of quantum mechanics continue to evolve to this day, there is a basic framework for the mathematical formulation of quantum mechanics which underlies most approaches and can be traced back to the mathematical work of John von Neumann. In other words, discussions about interpretation of the theory, and extensions to it, are now mostly conducted on the basis of shared assumptions about the mathematical foundations.

Later developments

The application of the new quantum theory to electromagnetism resulted in quantum field theory, which was developed starting around 1930. Quantum field theory has driven the development of more sophisticated formulations of quantum mechanics, of which the ones presented here are simple special cases.

A related topic is the relationship to classical mechanics. Any new physical theory is supposed to reduce to successful old theories in some approximation. For quantum mechanics, this translates into the need to study the so-called classical limit of quantum mechanics. Also, as Bohr emphasized, human cognitive abilities and language are inextricably linked to the classical realm, and so classical descriptions are intuitively more accessible than quantum ones. In particular, quantization, namely the construction of a quantum theory whose classical limit is a given and known classical theory, becomes an important area of quantum physics in itself.

Finally, some of the originators of quantum theory (notably Einstein and Schrödinger) were unhappy with what they thought were the philosophical implications of quantum mechanics. In particular, Einstein took the position that quantum mechanics must be incomplete, which motivated research into so-called hidden-variable theories. The issue of hidden variables has become in part an experimental issue with the help of quantum optics.

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