The mathematical formulations of quantum mechanics are those
mathematical formalisms that permit a rigorous description of
quantum mechanics. This mathematical formalism uses mainly a part of
functional analysis, especially
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
s, which are a kind of
linear space. Such are distinguished from mathematical formalisms for physics theories developed prior to the early 1900s by the use of abstract mathematical structures, such as infinite-dimensional
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
s (
''L''2 space mainly), and
operators on these spaces. In brief, values of physical
observables such as
energy and
momentum
In Newtonian mechanics, momentum (more specifically linear momentum or translational momentum) is the product of the mass and velocity of an object. It is a vector quantity, possessing a magnitude and a direction. If is an object's mass an ...
were no longer considered as values of
functions on
phase space
In dynamical system theory, a phase space is a space in which all possible states of a system are represented, with each possible state corresponding to one unique point in the phase space. For mechanical systems, the phase space usually ...
, but as
eigenvalues; more precisely as
spectral values of linear
operator
Operator may refer to:
Mathematics
* A symbol indicating a mathematical operation
* Logical operator or logical connective in mathematical logic
* Operator (mathematics), mapping that acts on elements of a space to produce elements of another ...
s in Hilbert space.
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
A model is an informative representation of an object, person or system. The term originally denoted the plans of a building in late 16th-century English, and derived via French and Italian ultimately from Latin ''modulus'', a measure.
Models c ...
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
Werner Karl Heisenberg () (5 December 1901 – 1 February 1976) was a German theoretical physicist and one of the main pioneers of the theory of quantum mechanics. He published his work in 1925 in a breakthrough paper. In the subsequent series ...
through a
thought experiment, and is represented mathematically in the new formalism by the
non-commutativity
In mathematics, a binary operation is commutative if changing the order of the operands does not change the result. It is a fundamental property of many binary operations, and many mathematical proofs depend on it. Most familiar as the name of ...
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
Differential geometry is a mathematical discipline that studies the geometry of smooth shapes and smooth spaces, otherwise known as smooth manifolds. It uses the techniques of differential calculus, integral calculus, linear algebra and multili ...
and
partial differential equation
In mathematics, a partial differential equation (PDE) is an equation which imposes relations between the various partial derivatives of a Multivariable calculus, multivariable function.
The function is often thought of as an "unknown" to be sol ...
s.
Probability theory was used in
statistical mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic be ...
. 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
Classical physics is a group of physics theories that predate modern, more complete, or more widely applicable theories. If a currently accepted theory is considered to be modern, and its introduction represented a major paradigm shift, then the ...
, 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
In dynamical system theory, a phase space is a space in which all possible states of a system are represented, with each possible state corresponding to one unique point in the phase space. For mechanical systems, the phase space usually ...
.
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
A black body or blackbody is an idealized physical body that absorbs all incident electromagnetic radiation, regardless of frequency or angle of incidence. The name "black body" is given because it absorbs all colors of light. A black body ...
, 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
Quanta is the plural of quantum.
Quanta may also refer to:
Organisations
* Quanta Computer, a Taiwan-based manufacturer of electronic and computer equipment
* Quanta Display Inc., a Taiwanese TFT-LCD panel manufacturer acquired by AU Optronic ...
. Planck postulated a direct proportionality between the frequency of radiation and the quantum of energy at that frequency. The proportionality constant, , is now called
Planck's constant in his honor.
In 1905,
Einstein
Albert Einstein ( ; ; 14 March 1879 – 18 April 1955) was a German-born theoretical physicist, widely acknowledged to be one of the greatest and most influential physicists of all time. Einstein is best known for developing the theory ...
explained certain features of the
photoelectric effect by assuming that Planck's energy quanta were actual particles, which were later dubbed
photons
A photon () is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force. Photons are massless, so they alway ...
.

All of these developments were
phenomenological
Phenomenology may refer to:
Art
* Phenomenology (architecture), based on the experience of building materials and their sensory properties
Philosophy
* Phenomenology (philosophy), a branch of philosophy which studies subjective experiences and a ...
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 Planck's 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
In physics and classical mechanics, the three-body problem is the problem of taking the initial positions and velocities (or momenta) of three point masses and solving for their subsequent motion according to Newton's laws of motion and Newton's ...
) could not be predicted. The mathematical status of quantum theory remained uncertain for some time.
In 1923,
de Broglie
Louis Victor Pierre Raymond, 7th Duc de Broglie (, also , or ; 15 August 1892 – 19 March 1987) was a French physicist and aristocrat who made groundbreaking contributions to quantum theory. In his 1924 PhD thesis, he postulated the wave na ...
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
Max Born (; 11 December 1882 – 5 January 1970) was a German physicist and mathematician who was instrumental in the development of quantum mechanics. He also made contributions to solid-state physics and optics and supervised the work of a n ...
,
Pascual Jordan, and the foundational work of
John von Neumann,
Hermann Weyl
Hermann Klaus Hugo Weyl, (; 9 November 1885 – 8 December 1955) was a German mathematician, theoretical physicist and philosopher. Although much of his working life was spent in Zürich, Switzerland, and then Princeton, New Jersey, he is assoc ...
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
In mathematics, a differential equation is an equation that relates one or more unknown functions and their derivatives. In applications, the functions generally represent physical quantities, the derivatives represent their rates of change, an ...
, 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
In mathematics, a square is the result of multiplying a number by itself. The verb "to square" is used to denote this operation. Squaring is the same as raising to the power 2, and is denoted by a superscript 2; for instance, the 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
Max Born (; 11 December 1882 – 5 January 1970) was a German physicist and mathematician who was instrumental in the development of quantum mechanics. He also made contributions to solid-state physics and optics and supervised the work of a n ...
who introduced the interpretation of the
absolute square
In mathematics, a square is the result of multiplying a number by itself. The verb "to square" is used to denote this operation. Squaring is the same as raising to the power 2, and is denoted by a superscript 2; for instance, the 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 bracket
In mathematics and classical mechanics, the Poisson bracket is an important binary operation in Hamiltonian mechanics, playing a central role in Hamilton's equations of motion, which govern the time evolution of a Hamiltonian dynamical system. Th ...
s, a procedure now known as
canonical quantization
In physics, canonical quantization is a procedure for quantizing a classical theory, while attempting to preserve the formal structure, such as symmetries, of the classical theory, to the greatest extent possible.
Historically, this was not quite ...
.
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
''The Principles of Quantum Mechanics'' is an influential monograph on quantum mechanics written by Paul Dirac and first published by Oxford University Press in 1930.
Dirac gives an account of quantum mechanics by "demonstrating how to cons ...
''. 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
In quantum mechanics, bra–ket notation, or Dirac notation, is used ubiquitously to denote quantum states. The notation uses angle brackets, and , and a vertical bar , to construct "bras" and "kets".
A ket is of the form , v \rangle. Mathema ...
, together with an abstract formulation in terms of the
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
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
Hermann Klaus Hugo Weyl, (; 9 November 1885 – 8 December 1955) was a German mathematician, theoretical physicist and philosopher. Although much of his working life was spent in Zürich, Switzerland, and then Princeton, New Jersey, he is assoc ...
had already referred to Hilbert spaces (which he called ''unitary spaces'') in his 1927 classic paper and book. It was developed in parallel with a new approach to the mathematical
spectral theory based on linear operators rather than the
quadratic form
In mathematics, a quadratic form is a polynomial with terms all of degree two ("form" is another name for a homogeneous polynomial). For example,
:4x^2 + 2xy - 3y^2
is a quadratic form in the variables and . The coefficients usually belong to a ...
s that were
David Hilbert
David Hilbert (; ; 23 January 1862 – 14 February 1943) was a German mathematician, one of the most influential mathematicians of the 19th and early 20th centuries. Hilbert discovered and developed a broad range of fundamental ideas in many a ...
'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
In theoretical physics, quantum field theory (QFT) is a theoretical framework that combines classical field theory, special relativity, and quantum mechanics. QFT is used in particle physics to construct physical models of subatomic particles and ...
, 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.
*
Path integral formulation
*
Phase-space formulation
The phase-space formulation of quantum mechanics places the position ''and'' momentum variables on equal footing in phase space. In contrast, the Schrödinger picture uses the position ''or'' momentum representations (see also position and moment ...
of quantum mechanics &
geometric quantization
*
quantum field theory in curved spacetime
*
axiomatic,
algebraic and
constructive quantum field theory
*
C*-algebra
In mathematics, specifically in functional analysis, a C∗-algebra (pronounced "C-star") is a Banach algebra together with an involution satisfying the properties of the adjoint. A particular case is that of a complex algebra ''A'' of continuous ...
formalism
*
Generalized statistical model of quantum mechanics
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
The classical limit or correspondence limit is the ability of a physical theory to approximate or "recover" classical mechanics when considered over special values of its parameters. The classical limit is used with physical theories that predict n ...
. 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.
Postulates of quantum mechanics
A physical system is generally described by three basic ingredients:
states;
observables; and
dynamics (or law of
time evolution
Time evolution is the change of state brought about by the passage of time, applicable to systems with internal state (also called ''stateful systems''). In this formulation, ''time'' is not required to be a continuous parameter, but may be disc ...
) or, more generally, a
group of physical symmetries. A classical description can be given in a fairly direct way by a phase space
model of mechanics: states are points in a phase space formulated by
symplectic manifold
In differential geometry, a subject of mathematics, a symplectic manifold is a smooth manifold, M , equipped with a closed nondegenerate differential 2-form \omega , called the symplectic form. The study of symplectic manifolds is called sympl ...
, observables are real-valued functions on it, time evolution is given by a one-parameter
group of symplectic transformations of the phase space, and physical symmetries are realized by symplectic transformations. A quantum description normally consists of a
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
of states, observables are
self-adjoint operators on the space of states, time evolution is given by a
one-parameter group
In mathematics, a one-parameter group or one-parameter subgroup usually means a continuous group homomorphism
:\varphi : \mathbb \rightarrow G
from the real line \mathbb (as an additive group) to some other topological group G.
If \varphi is in ...
of unitary transformations on the Hilbert space of states, and physical symmetries are realized by
unitary transformations. (It is possible, to map this Hilbert-space picture to a
phase space formulation, invertibly. See below.)
The following summary of the mathematical framework of quantum mechanics can be partly traced back to the
Dirac–von Neumann axioms.
Description of the state of a system
Each isolated physical system is associated with a (topologically)
separable complex Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
with
inner product .
Separability is a mathematically convenient hypothesis, with the physical interpretation that the state is uniquely determined by countably many observations. Quantum states can be identified with
equivalence class
In mathematics, when the elements of some set S have a notion of equivalence (formalized as an equivalence relation), then one may naturally split the set S into equivalence classes. These equivalence classes are constructed so that elements a ...
es in , where two vectors (of length 1) represent the same state if they differ only by a
phase factor. As such, quantum states form a
ray in
projective Hilbert space, not a ''vector''. Many textbooks fail to make this distinction, which could be partly a result of the fact that the
Schrödinger equation itself involves Hilbert-space "vectors", with the result that the imprecise use of "state vector" rather than ''ray'' is very difficult to avoid.
Accompanying Postulate I is the composite system postulate:
In the presence of
quantum entanglement, the quantum state of the composite system cannot be factored as a tensor product of states of its local constituents; Instead, it is expressed as a sum, or
superposition, of tensor products of states of component subsystems. A subsystem in an entangled composite system generally cannot be described by a state vector (or a ray), but instead is described by a
density operator
In quantum mechanics, a density matrix (or density operator) is a matrix that describes the quantum state of a physical system. It allows for the calculation of the probabilities of the outcomes of any measurement performed upon this system, using ...
; Such quantum state is known as a
mixed state. The
density operator
In quantum mechanics, a density matrix (or density operator) is a matrix that describes the quantum state of a physical system. It allows for the calculation of the probabilities of the outcomes of any measurement performed upon this system, using ...
of a mixed state is a
trace class, nonnegative (
positive semi-definite)
self-adjoint
In mathematics, and more specifically in abstract algebra, an element ''x'' of a *-algebra is self-adjoint if x^*=x. A self-adjoint element is also Hermitian, though the reverse doesn't necessarily hold.
A collection ''C'' of elements of a sta ...
operator normalized to be of
trace
Trace may refer to:
Arts and entertainment Music
* Trace (Son Volt album), ''Trace'' (Son Volt album), 1995
* Trace (Died Pretty album), ''Trace'' (Died Pretty album), 1993
* Trace (band), a Dutch progressive rock band
* The Trace (album), ''The ...
1. In turn, any
density operator
In quantum mechanics, a density matrix (or density operator) is a matrix that describes the quantum state of a physical system. It allows for the calculation of the probabilities of the outcomes of any measurement performed upon this system, using ...
of a mixed state can be represented as a subsystem of a larger composite system in a pure state (see
purification theorem).
In the absence of quantum entanglement, the quantum state of the composite system is called a
separable state
In quantum mechanics, separable states are quantum states belonging to a composite space that can be factored into individual states belonging to separate subspaces. A state is said to be entangled if it is not separable. In general, determinin ...
. The density matrix of a bipartite system in a separable state can be expressed as
, where
. If there is only a single non-zero
, then the state can be expressed just as
and is called simply separable or product state.
Measurement on a system
Description of physical quantities
Physical observables are represented by
Hermitian matrices on . Since these operators are Hermitian, their eigenvalues are always real, and represent the possible outcomes/results from measuring the corresponding observable. If the spectrum of the observable is
discrete, then the possible results are ''quantized''.
Results of measurement
By spectral theory, we can associate a
probability measure
In mathematics, a probability measure is a real-valued function defined on a set of events in a probability space that satisfies measure properties such as ''countable additivity''. The difference between a probability measure and the more gener ...
to the values of in any state . We can also show that the possible values of the observable in any state must belong to the
spectrum of . The
expectation value (in the sense of probability theory) of the observable for the system in state represented by the unit vector ∈ ''H'' is
. If we represent the state in the basis formed by the eigenvectors of , then the square of the modulus of the component attached to a given eigenvector is the probability of observing its corresponding eigenvalue.
For a mixed state , the expected value of in the state is
, and the probability of obtaining an eigenvalue
in a discrete, nondegenerate spectrum of the corresponding observable
is given by
.
If the eigenvalue
has
degenerate
Degeneracy, degenerate, or degeneration may refer to:
Arts and entertainment
* ''Degenerate'' (album), a 2010 album by the British band Trigger the Bloodshed
* Degenerate art, a term adopted in the 1920s by the Nazi Party in Germany to descr ...
, orthonormal eigenvectors
, then the
projection operator onto the eigensubspace can be defined as the identity operator in the eigensubspace:
and then
.
Postulates II.a and II.b are collectively known as the
Born rule of quantum mechanics.
Effect of measurement on the state
When a measurement is performed, only one result is obtained (according to some
interpretations of quantum mechanics). This is modeled mathematically as the processing of additional information from the measurement, confining the probabilities of an immediate second measurement of the same observable. In the case of a discrete, non-degenerate spectrum, two sequential measurements of the same observable will always give the same value assuming the second immediately follows the first. Therefore, the state vector must change as a result of measurement, and ''collapse'' onto the eigensubspace associated with the eigenvalue measured.
For a mixed state , after obtaining an eigenvalue
in a discrete, nondegenerate spectrum of the corresponding observable
, the updated state is given by
. If the eigenvalue
has degenerate, orthonormal eigenvectors
, then the
projection operator onto the eigensubspace is
.
Postulates II.c is sometimes called the "state update rule" or "collapse rule"; Together with the Born rule (Postulates II.a and II.b), they form a complete representation of
measurements
Measurement is the quantification of attributes of an object or event, which can be used to compare with other objects or events.
In other words, measurement is a process of determining how large or small a physical quantity is as compared t ...
, and are sometimes collectively called the measurement postulate(s).
Note that the
projection-valued measures (PVM) described in the measurement postulate(s) can be generalized to
positive operator-valued measures (POVM), which is the most general kind of measurement in quantum mechanics. A POVM can be understood as the effect on a component subsystem when a PVM is performed on a larger, composite system (see
Naimark's dilation theorem In operator theory, Naimark's dilation theorem is a result that characterizes positive operator valued measures. It can be viewed as a consequence of Stinespring's dilation theorem.
Some preliminary notions
Let ''X'' be a compact Hausdorff sp ...
).
Time evolution of a system
Though it is possible to derive the Schrödinger equation, which describes how a state vector evolves in time, most texts assert the equation as a postulate. Common derivations include using the
de Broglie hypothesis
Matter waves are a central part of the theory of quantum mechanics, being an example of wave–particle duality. All matter exhibits wave-like behavior. For example, a beam of electrons can be diffracted just like a beam of light or a water wave ...
or
path integrals.
Equivalently, the time evolution postulate can be stated as:
For a closed system in a mixed state , the time evolution is
.
The evolution of an
open quantum system In physics, an open quantum system is a quantum-mechanical system that interacts with an external quantum system, which is known as the ''environment'' or a ''bath''. In general, these interactions significantly change the dynamics of the system an ...
can be described by
quantum operations (in an
operator sum formalism) and
quantum instrument
In physics, a quantum instrument is a mathematical abstraction of a quantum measurement, capturing both the classical and quantum outputs. It combines the concepts of measurement and quantum operation. It can be equivalently understood as a quant ...
s, and generally does not have to be unitary.
Other implications of the postulates
* Physical symmetries act on the Hilbert space of quantum states
unitarily or
antiunitarily due to
Wigner's theorem (
supersymmetry
In a supersymmetric theory the equations for force and the equations for matter are identical. In theoretical and mathematical physics, any theory with this property has the principle of supersymmetry (SUSY). Dozens of supersymmetric theories e ...
is another matter entirely).
* Density operators are those that are in the closure of the
convex hull
In geometry, the convex hull or convex envelope or convex closure of a shape is the smallest convex set that contains it. The convex hull may be defined either as the intersection of all convex sets containing a given subset of a Euclidean space ...
of the one-dimensional orthogonal projectors. Conversely, one-dimensional orthogonal projectors are
extreme points of the set of density operators. Physicists also call one-dimensional orthogonal projectors ''pure states'' and other density operators ''mixed states''.
* One can in this formalism state Heisenberg's
uncertainty principle and prove it as a theorem, although the exact historical sequence of events, concerning who derived what and under which framework, is the subject of historical investigations outside the scope of this article.
* Recent research has shown that the composite system postulate (tensor product postulate) can be derived from the state postulate (Postulate I) and the measurement postulates (Postulates II); Moreover, it has also been shown that the measurement postulates (Postulates II) can be derived from "unitary quantum mechanics", which includes only the state postulate (Postulate I), the composite system postulate (tensor product postulate) and the unitary evolution postulate (Postulate III).
Furthermore, to the postulates of quantum mechanics one should also add basic statements on the properties of
spin
Spin or spinning most often refers to:
* Spinning (textiles), the creation of yarn or thread by twisting fibers together, traditionally by hand spinning
* Spin, the rotation of an object around a central axis
* Spin (propaganda), an intentionally b ...
and Pauli's
exclusion principle, see below.
Spin
In addition to their other properties, all particles possess a quantity called
spin
Spin or spinning most often refers to:
* Spinning (textiles), the creation of yarn or thread by twisting fibers together, traditionally by hand spinning
* Spin, the rotation of an object around a central axis
* Spin (propaganda), an intentionally b ...
, an ''intrinsic angular momentum''. Despite the name, particles do not literally spin around an axis, and quantum mechanical spin has no correspondence in classical physics. In the position representation, a spinless wavefunction has position and time as continuous variables, . For spin wavefunctions the spin is an additional discrete variable: , where takes the values;
That is, the state of a single particle with spin is represented by a -component
spinor of complex-valued wave functions.
Two classes of particles with ''very different'' behaviour are
bosons which have integer spin (), and
fermion
In particle physics, a fermion is a particle that follows Fermi–Dirac statistics. Generally, it has a half-odd-integer spin: spin , spin , etc. In addition, these particles obey the Pauli exclusion principle. Fermions include all quarks an ...
s possessing half-integer spin ().
Symmetrization postulate
In quantum mechanics, two particles can be distinguished from one another using two methods. By performing a measurement of intrinsic properties of each particle, particles of different types can be distinguished. Otherwise, if the particles are identical, their trajectories can be tracked which distinguishes the particles based on the locality of each particle. While the second method is permitted in classical mechanics, (i.e. all classical particles are treated with distinguishability), the same cannot be said for quantum mechanical particles since the process is infeasible due to the fundamental uncertainty principles that govern small scales. Hence the requirement of indistinguishability of quantum particles is presented by the symmetrization postulate. The postulate is applicable to a system of bosons or fermions, for example, in predicting the spectra of
helium atom. The postulate, explained in the following sections, can be stated as follows:
Exceptions can occur when the particles are constrained to two spatial dimensions where existence of particles known as
anyon
In physics, an anyon is a type of quasiparticle that occurs only in two-dimensional systems, with properties much less restricted than the two kinds of standard elementary particles, fermions and bosons. In general, the operation of exchangi ...
s are possible which are said to have a continuum of statistical properties spanning the range between fermions and bosons. The connection between behaviour of identical particles and their spin is given by
spin statistics theorem
Spin or spinning most often refers to:
* Spinning (textiles), the creation of yarn or thread by twisting fibers together, traditionally by hand spinning
* Spin, the rotation of an object around a central axis
* Spin (propaganda), an intentionally ...
.
It can be shown that two particles localized in different regions of space can still be represented using a symmetrized/antisymmetrized wavefunction and that independent treatment of these wavefunctions gives the same result. Hence the symmetrization postulate is applicable in the general case of a system of identical particles.
Exchange Degeneracy
In a system of identical particles, let ''P'' be known as exchange operator that acts on the wavefunction as:
If a physical system of identical particles is given, wavefunction of all particles can be well known from observation but these cannot be labelled to each particle. Thus, the above exchanged wavefunction represents the same physical state as the original state which implies that the wavefunction is not unique. This is known as exchange degeneracy.
More generally, consider a linear combination of such states,
. For the best representation of the physical system, we expect this to be an eigenvector of ''P'' since exchange operator is not excepted to give completely different vectors in projective Hilbert space. Since
, the possible eigenvalues of ''P'' are +1 and −1. The
states for identical particle system are represented as symmetric for +1 eigenvalue or antisymmetric for -1 eigenvalue as follows:
:
:
The explicit symmetric/antisymmetric form of
is
constructed using a symmetrizer or
antisymmetrizer operator. Particles that form symmetric states are called
bosons and those that form antisymmetric states are called as fermions. The relation of spin with this classification is given from
spin statistics theorem
Spin or spinning most often refers to:
* Spinning (textiles), the creation of yarn or thread by twisting fibers together, traditionally by hand spinning
* Spin, the rotation of an object around a central axis
* Spin (propaganda), an intentionally ...
which shows that integer spin particles are bosons and half integer spin particles are fermions.
Pauli exclusion principle
The property of spin relates to another basic property concerning systems of identical particles: the
Pauli exclusion principle, which is a consequence of the following permutation behaviour of an -particle wave function; again in the position representation one must postulate that for the transposition of any two of the particles one always should have
i.e., on
transposition of the arguments of any two particles the wavefunction should ''reproduce'', apart from a prefactor which is for bosons, but () for
fermions.
Electrons are fermions with ; quanta of light are bosons with .
Due to the form of anti-symmetrized wavefunction:
if the wavefunction of each particle is completely determined by a set of quantum number, then two fermions cannot share the same set of quantum numbers since the resulting function cannot be anti-symmetrized (i.e. above formula gives zero). The same cannot be said of Bosons since their wavefunction is:
where
is the number of particles with same wavefunction.
Exceptions for symmetrization postulate
In nonrelativistic quantum mechanics all particles are either bosons or
fermions; in relativistic quantum theories also
"supersymmetric" theories exist, where a particle is a linear combination of a bosonic and a fermionic part. Only in dimension can one construct entities where is replaced by an arbitrary complex number with magnitude 1, called
anyon
In physics, an anyon is a type of quasiparticle that occurs only in two-dimensional systems, with properties much less restricted than the two kinds of standard elementary particles, fermions and bosons. In general, the operation of exchangi ...
s. In relativistic quantum mechanics, spin statistic theorem can prove that under certain set of assumptions that the integer spins particles are classified as bosons and half spin particles are classified as
fermion
In particle physics, a fermion is a particle that follows Fermi–Dirac statistics. Generally, it has a half-odd-integer spin: spin , spin , etc. In addition, these particles obey the Pauli exclusion principle. Fermions include all quarks an ...
s. Anyons which form neither symmetric nor antisymmetric states are said to have fractional spin.
Although ''spin'' and the ''Pauli principle'' can only be derived from relativistic generalizations of quantum mechanics, the properties mentioned in the last two paragraphs belong to the basic postulates already in the non-relativistic limit. Especially, many important properties in natural science, e.g. the
periodic system of chemistry, are consequences of the two properties.
Mathematical structure of quantum mechanics
Pictures of dynamics
Summary:
Representations
The original form of the Schrödinger equation depends on choosing a particular representation of Heisenberg's
canonical commutation relations
In quantum mechanics, the canonical commutation relation is the fundamental relation between canonical conjugate quantities (quantities which are related by definition such that one is the Fourier transform of another). For example,
hat x,\hat ...
. The
Stone–von Neumann theorem In mathematics and in theoretical physics, the Stone–von Neumann theorem refers to any one of a number of different formulations of the uniqueness of the canonical commutation relations between position and momentum operators. It is named after ...
dictates that all irreducible representations of the finite-dimensional Heisenberg commutation relations are unitarily equivalent. A systematic understanding of its consequences has led to the
phase space formulation of quantum mechanics, which works in full
phase space
In dynamical system theory, a phase space is a space in which all possible states of a system are represented, with each possible state corresponding to one unique point in the phase space. For mechanical systems, the phase space usually ...
instead of
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
, so then with a more intuitive link to the
classical limit thereof. This picture also simplifies considerations
of
quantization, the deformation extension from classical to quantum mechanics.
The
is an exactly solvable system where the different representations are easily compared. There, apart from the Heisenberg, or Schrödinger (position or momentum), or phase-space representations, one also encounters the Fock (number) representation and the
Segal–Bargmann (Fock-space or coherent state) representation (named after
Irving Segal
Irving Ezra Segal (1918–1998) was an American mathematician known for work on theoretical quantum mechanics. He shares credit for what is often referred to as the Segal–Shale–Weil representation. Early in his career Segal became known for h ...
and
Valentine Bargmann). All four are unitarily equivalent.
Time as an operator
The framework presented so far singles out time as ''the'' parameter that everything depends on. It is possible to formulate mechanics in such a way that time becomes itself an observable associated with a self-adjoint operator. At the classical level, it is possible to arbitrarily parameterize the trajectories of particles in terms of an unphysical parameter , and in that case the time ''t'' becomes an additional generalized coordinate of the physical system. At the quantum level, translations in would be generated by a "Hamiltonian" , where ''E'' is the energy operator and is the "ordinary" Hamiltonian. However, since ''s'' is an unphysical parameter, ''physical'' states must be left invariant by "''s''-evolution", and so the physical state space is the kernel of (this requires the use of a
rigged Hilbert space and a renormalization of the norm).
This is related to the
quantization of constrained systems and
quantization of gauge theories. It
is also possible to formulate a quantum theory of "events" where time becomes an observable.
The problem of measurement
The picture given in the preceding paragraphs is sufficient for description of a completely isolated system. However, it fails to account for one of the main differences between quantum mechanics and classical mechanics, that is, the effects of
measurement
Measurement is the quantification of attributes of an object or event, which can be used to compare with other objects or events.
In other words, measurement is a process of determining how large or small a physical quantity is as compared ...
. The von Neumann description of quantum measurement of an observable , when the system is prepared in a pure state is the following (note, however, that von Neumann's description dates back to the 1930s and is based on experiments as performed during that time – more specifically the
Compton–Simon experiment; it is not applicable to most present-day measurements within the quantum domain):
* Let have spectral resolution
where is the
resolution of the identity
In functional analysis, a branch of mathematics, the Borel functional calculus is a ''functional calculus'' (that is, an assignment of operators from commutative algebras to functions defined on their spectra), which has particularly broad scope. ...
(also called
projection-valued measure) associated with . Then the probability of the measurement outcome lying in an interval of is . In other words, the probability is obtained by integrating the characteristic function of against the countably additive measure
* If the measured value is contained in , then immediately after the measurement, the system will be in the (generally non-normalized) state . If the measured value does not lie in , replace by its complement for the above state.
For example, suppose the state space is the -dimensional complex Hilbert space and is a Hermitian matrix with eigenvalues , with corresponding eigenvectors . The projection-valued measure associated with , , is then
where is a Borel set containing only the single eigenvalue . If the system is prepared in state
Then the probability of a measurement returning the value can be calculated by integrating the spectral measure
over . This gives trivially
The characteristic property of the von Neumann measurement scheme is that repeating the same measurement will give the same results. This is also called the ''projection postulate''.
A more general formulation replaces the projection-valued measure with a positive-operator valued measure (POVM). To illustrate, take again the finite-dimensional case. Here we would replace the rank-1 projections
by a finite set of positive operators
whose sum is still the identity operator as before (the resolution of identity). Just as a set of possible outcomes is associated to a projection-valued measure, the same can be said for a POVM. Suppose the measurement outcome is . Instead of collapsing to the (unnormalized) state
after the measurement, the system now will be in the state
Since the operators need not be mutually orthogonal projections, the projection postulate of von Neumann no longer holds.
The same formulation applies to general
mixed states.
In von Neumann's approach, the state transformation due to measurement is distinct from that due to time evolution in several ways. For example, time evolution is deterministic and unitary whereas measurement is non-deterministic and non-unitary. However, since both types of state transformation take one quantum state to another, this difference was viewed by many as unsatisfactory. The POVM formalism views measurement as one among many other
quantum operations, which are described by
completely positive map
In mathematics a positive map is a map between C*-algebras that sends positive elements to positive elements. A completely positive map is one which satisfies a stronger, more robust condition.
Definition
Let A and B be C*-algebras. A linear m ...
s which do not increase the trace.
In any case it seems that the above-mentioned problems can only be resolved if the time evolution included not only the quantum system, but also, and essentially, the classical measurement apparatus (see above).
List of mathematical tools
Part of the folklore of the subject concerns the
mathematical physics textbook
Methods of Mathematical Physics
''Methoden der mathematischen Physik'' (Methods of Mathematical Physics) is a 1924 book, in two volumes totalling around 1000 pages, published under the names of Richard Courant and David Hilbert. It was a comprehensive treatment of the "methods o ...
put together by
Richard Courant from
David Hilbert
David Hilbert (; ; 23 January 1862 – 14 February 1943) was a German mathematician, one of the most influential mathematicians of the 19th and early 20th centuries. Hilbert discovered and developed a broad range of fundamental ideas in many a ...
's
Göttingen University courses. The story is told (by mathematicians) that physicists had dismissed the material as not interesting in the current research areas, until the advent of Schrödinger's equation. At that point it was realised that the mathematics of the new quantum mechanics was already laid out in it. It is also said that Heisenberg had consulted Hilbert about his matrix mechanics, and Hilbert observed that his own experience with infinite-dimensional matrices had derived from differential equations, advice which Heisenberg ignored, missing the opportunity to unify the theory as Weyl and Dirac did a few years later. Whatever the basis of the anecdotes, the mathematics of the theory was conventional at the time, whereas the physics was radically new.
The main tools include:
*
linear algebra: complex numbers,
eigenvectors,
eigenvalues
*
functional analysis:
Hilbert space
In mathematics, Hilbert spaces (named after David Hilbert) allow generalizing the methods of linear algebra and calculus from (finite-dimensional) Euclidean vector spaces to spaces that may be infinite-dimensional. Hilbert spaces arise natural ...
s,
linear operator
In mathematics, and more specifically in linear algebra, a linear map (also called a linear mapping, linear transformation, vector space homomorphism, or in some contexts linear function) is a mapping V \to W between two vector spaces that pre ...
s,
spectral theory
*
differential equations
In mathematics, a differential equation is an equation that relates one or more unknown functions and their derivatives. In applications, the functions generally represent physical quantities, the derivatives represent their rates of change, an ...
:
partial differential equations,
separation of variables,
ordinary differential equations
In mathematics, an ordinary differential equation (ODE) is a differential equation whose unknown(s) consists of one (or more) function(s) of one variable and involves the derivatives of those functions. The term ''ordinary'' is used in contrast w ...
,
Sturm–Liouville theory In mathematics and its applications, classical Sturm–Liouville theory is the theory of ''real'' second-order ''linear'' ordinary differential equations of the form:
for given coefficient functions , , and , an unknown function ''y = y''(''x'') ...
,
eigenfunctions
*
harmonic analysis
Harmonic analysis is a branch of mathematics concerned with the representation of Function (mathematics), functions or signals as the Superposition principle, superposition of basic waves, and the study of and generalization of the notions of Fo ...
:
Fourier transform
A Fourier transform (FT) is a mathematical transform that decomposes functions into frequency components, which are represented by the output of the transform as a function of frequency. Most commonly functions of time or space are transformed, ...
s
See also
*
List of mathematical topics in quantum theory {{Short description, List article
This is a list of mathematical topics in quantum theory, by Wikipedia page. See also list of functional analysis topics, list of Lie group topics, list of quantum-mechanical systems with analytical solutions.
Mat ...
*
Symmetry in quantum mechanics
Notes
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{{Functional analysis
Mathematical physics
History of physics