The path integral formulation is a description in
quantum mechanics
Quantum mechanics is the fundamental physical Scientific theory, theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. Reprinted, Addison-Wesley, 1989, It is ...
that generalizes the
stationary action principle of
classical mechanics
Classical mechanics is a Theoretical physics, physical theory describing the motion of objects such as projectiles, parts of Machine (mechanical), machinery, spacecraft, planets, stars, and galaxies. The development of classical mechanics inv ...
. It replaces the classical notion of a single, unique classical trajectory for a system with a sum, or
functional integral, over an infinity of quantum-mechanically possible trajectories to compute a
quantum amplitude.
This formulation has proven crucial to the subsequent development of
theoretical physics
Theoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain, and predict List of natural phenomena, natural phenomena. This is in contrast to experimental p ...
, because manifest
Lorentz covariance (time and space components of quantities enter equations in the same way) is easier to achieve than in the operator formalism of
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 quit ...
. Unlike previous methods, the path integral allows one to easily change
coordinates
In geometry, a coordinate system is a system that uses one or more numbers, or coordinates, to uniquely determine and standardize the Position (geometry), position of the Point (geometry), points or other geometric elements on a manifold such as ...
between very different
canonical
The adjective canonical is applied in many contexts to mean 'according to the canon' the standard, rule or primary source that is accepted as authoritative for the body of knowledge or literature in that context. In mathematics, ''canonical exampl ...
descriptions of the same quantum system. Another advantage is that it is in practice easier to guess the correct form of the
Lagrangian of a theory, which naturally enters the path integrals (for interactions of a certain type, these are ''coordinate space'' or ''Feynman path integrals''), than the
Hamiltonian
Hamiltonian may refer to:
* Hamiltonian mechanics, a function that represents the total energy of a system
* Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system
** Dyall Hamiltonian, a modified Hamiltonian ...
. Possible downsides of the approach include that
unitarity (this is related to conservation of probability; the probabilities of all physically possible outcomes must add up to one) of the
S-matrix
In physics, the ''S''-matrix or scattering matrix is a Matrix (mathematics), matrix that relates the initial state and the final state of a physical system undergoing a scattering, scattering process. It is used in quantum mechanics, scattering ...
is obscure in the formulation. The path-integral approach has proven to be equivalent to the other formalisms of quantum mechanics and quantum field theory. Thus, by ''deriving'' either approach from the other, problems associated with one or the other approach (as exemplified by Lorentz covariance or unitarity) go away.
The path integral also relates quantum and
stochastic Stochastic (; ) is the property of being well-described by a random probability distribution. ''Stochasticity'' and ''randomness'' are technically distinct concepts: the former refers to a modeling approach, while the latter describes phenomena; i ...
processes, and this provided the basis for the grand synthesis of the 1970s, which unified
quantum field theory
In theoretical physics, quantum field theory (QFT) is a theoretical framework that combines Field theory (physics), field theory and the principle of relativity with ideas behind quantum mechanics. QFT is used in particle physics to construct phy ...
with the
statistical field theory
In theoretical physics, statistical field theory (SFT) is a theoretical framework that describes phase transitions. It does not denote a single theory but encompasses many models, including for magnetism, superconductivity, superfluidity, topologi ...
of a fluctuating field near a
second-order phase transition
In physics, chemistry, and other related fields like biology, a phase transition (or phase change) is the physical process of transition between one state of a medium and another. Commonly the term is used to refer to changes among the basic Sta ...
. The
Schrödinger equation
The Schrödinger equation is a partial differential equation that governs the wave function of a non-relativistic quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. It is named after E ...
is a
diffusion equation
The diffusion equation is a parabolic partial differential equation. In physics, it describes the macroscopic behavior of many micro-particles in Brownian motion, resulting from the random movements and collisions of the particles (see Fick's l ...
with an imaginary diffusion constant, and the path integral is an
analytic continuation
In complex analysis, a branch of mathematics, analytic continuation is a technique to extend the domain of definition of a given analytic function. Analytic continuation often succeeds in defining further values of a function, for example in a ne ...
of a method for summing up all possible
random walk
In mathematics, a random walk, sometimes known as a drunkard's walk, is a stochastic process that describes a path that consists of a succession of random steps on some Space (mathematics), mathematical space.
An elementary example of a rand ...
s.
The path integral has impacted a wide array of sciences, including
polymer physics Polymer physics is the field of physics that studies polymers, their fluctuations, mechanical properties, as well as the kinetics of reactions involving degradation of polymers and polymerisation of monomers.P. Flory, ''Principles of Polymer Che ...
, quantum field theory,
string theory
In physics, string theory is a theoretical framework in which the point-like particles of particle physics are replaced by one-dimensional objects called strings. String theory describes how these strings propagate through space and intera ...
and
cosmology
Cosmology () is a branch of physics and metaphysics dealing with the nature of the universe, the cosmos. The term ''cosmology'' was first used in English in 1656 in Thomas Blount's ''Glossographia'', with the meaning of "a speaking of the wo ...
. In physics, it is a foundation for
lattice gauge theory and
quantum chromodynamics
In theoretical physics, quantum chromodynamics (QCD) is the study of the strong interaction between quarks mediated by gluons. Quarks are fundamental particles that make up composite hadrons such as the proton, neutron and pion. QCD is a type of ...
.
It has been called the "most powerful formula in physics", with
Stephen Wolfram
Stephen Wolfram ( ; born 29 August 1959) is a British-American computer scientist, physicist, and businessman. He is known for his work in computer algebra and theoretical physics. In 2012, he was named a fellow of the American Mathematical So ...
also declaring it to be the "fundamental mathematical construct of modern quantum mechanics and quantum field theory".
The basic idea of the path integral formulation can be traced back to
Norbert Wiener
Norbert Wiener (November 26, 1894 – March 18, 1964) was an American computer scientist, mathematician, and philosopher. He became a professor of mathematics at the Massachusetts Institute of Technology ( MIT). A child prodigy, Wiener late ...
, who introduced the
Wiener integral for solving problems in diffusion and
Brownian motion
Brownian motion is the random motion of particles suspended in a medium (a liquid or a gas). The traditional mathematical formulation of Brownian motion is that of the Wiener process, which is often called Brownian motion, even in mathematical ...
. This idea was extended to the use of the
Lagrangian in quantum mechanics by
Paul Dirac
Paul Adrien Maurice Dirac ( ; 8 August 1902 – 20 October 1984) was an English mathematician and Theoretical physics, theoretical physicist who is considered to be one of the founders of quantum mechanics. Dirac laid the foundations for bot ...
, whose 1933 paper gave birth to path integral formulation.
The complete method was developed in 1948 by
Richard Feynman
Richard Phillips Feynman (; May 11, 1918 – February 15, 1988) was an American theoretical physicist. He is best known for his work in the path integral formulation of quantum mechanics, the theory of quantum electrodynamics, the physics of t ...
. Some preliminaries were worked out earlier in his doctoral work under the supervision of
John Archibald Wheeler
John Archibald Wheeler (July 9, 1911April 13, 2008) was an American theoretical physicist. He was largely responsible for reviving interest in general relativity in the United States after World War II. Wheeler also worked with Niels Bohr to e ...
. The original motivation stemmed from the desire to obtain a quantum-mechanical formulation for the
Wheeler–Feynman absorber theory
The Wheeler–Feynman absorber theory (also called the Wheeler–Feynman time-symmetric theory), named after its originators, the physicists Richard Feynman and John Archibald Wheeler, is a theory of electrodynamics based on a relativistic correct ...
using a
Lagrangian (rather than a
Hamiltonian
Hamiltonian may refer to:
* Hamiltonian mechanics, a function that represents the total energy of a system
* Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system
** Dyall Hamiltonian, a modified Hamiltonian ...
) as a starting point.
Quantum action principle
In quantum mechanics, as in classical mechanics, the
Hamiltonian
Hamiltonian may refer to:
* Hamiltonian mechanics, a function that represents the total energy of a system
* Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system
** Dyall Hamiltonian, a modified Hamiltonian ...
is the generator of time translations. This means that the state at a slightly later time differs from the state at the current time by the result of acting with the Hamiltonian operator (multiplied by the negative
imaginary unit
The imaginary unit or unit imaginary number () is a mathematical constant that is a solution to the quadratic equation Although there is no real number with this property, can be used to extend the real numbers to what are called complex num ...
, ). For states with a definite energy, this is a statement of the
de Broglie relation
Matter waves are a central part of the theory of quantum mechanics, being half of wave–particle duality. At all scales where measurements have been practical, matter exhibits wave-like behavior. For example, a beam of electrons can be diffract ...
between frequency and energy, and the general relation is consistent with that plus the
superposition principle
The superposition principle, also known as superposition property, states that, for all linear systems, the net response caused by two or more stimuli is the sum of the responses that would have been caused by each stimulus individually. So th ...
.
The Hamiltonian in classical mechanics is derived from a
Lagrangian, which is a more fundamental quantity in the context of
special relativity
In physics, the special theory of relativity, or special relativity for short, is a scientific theory of the relationship between Spacetime, space and time. In Albert Einstein's 1905 paper, Annus Mirabilis papers#Special relativity,
"On the Ele ...
. The Hamiltonian indicates how to march forward in time, but the time is different in different
reference frames
In physics and astronomy, a frame of reference (or reference frame) is an abstract coordinate system, whose origin, orientation, and scale have been specified in physical space. It is based on a set of reference points, defined as geometric ...
. The Lagrangian is a
Lorentz scalar
In a relativistic theory of physics, a Lorentz scalar is a scalar expression whose value is invariant under any Lorentz transformation. A Lorentz scalar may be generated from, e.g., the scalar product of vectors, or by contracting tensors. Whil ...
, while the Hamiltonian is the time component of a
four-vector
In special relativity, a four-vector (or 4-vector, sometimes Lorentz vector) is an object with four components, which transform in a specific way under Lorentz transformations. Specifically, a four-vector is an element of a four-dimensional vect ...
. So the Hamiltonian is different in different frames, and this type of symmetry is not apparent in the original formulation of quantum mechanics.
The Hamiltonian is a function of the position and momentum at one time, and it determines the position and momentum a little later. The Lagrangian is a function of the position now and the position a little later (or, equivalently for infinitesimal time separations, it is a function of the position and velocity). The relation between the two is by a
Legendre transformation
In mathematics, the Legendre transformation (or Legendre transform), first introduced by Adrien-Marie Legendre in 1787 when studying the minimal surface problem, is an involutive transformation on real-valued functions that are convex on a rea ...
, and the condition that determines the classical equations of motion (the
Euler–Lagrange equation
In the calculus of variations and classical mechanics, the Euler–Lagrange equations are a system of second-order ordinary differential equations whose solutions are stationary points of the given action functional. The equations were discovered ...
s) is that the
action
Action may refer to:
* Action (philosophy), something which is done by a person
* Action principles the heart of fundamental physics
* Action (narrative), a literary mode
* Action fiction, a type of genre fiction
* Action game, a genre of video gam ...
has an extremum.
In quantum mechanics, the Legendre transform is hard to interpret, because the motion is not over a definite trajectory. In classical mechanics, with
discretization
In applied mathematics, discretization is the process of transferring continuous functions, models, variables, and equations into discrete counterparts. This process is usually carried out as a first step toward making them suitable for numeri ...
in time, the Legendre transform becomes
:
and
:
where the
partial derivative
In mathematics, a partial derivative of a function of several variables is its derivative with respect to one of those variables, with the others held constant (as opposed to the total derivative, in which all variables are allowed to vary). P ...
with respect to
holds fixed. The inverse Legendre transform is
:
where
:
and the partial derivative now is with respect to at fixed .
In quantum mechanics, the state is a
superposition of different states with different values of , or different values of , and the quantities and can be interpreted as noncommuting operators. The operator is only definite on states that are indefinite with respect to . So consider two states separated in time and act with the operator corresponding to the Lagrangian:
:
If the multiplications implicit in this formula are reinterpreted as ''matrix'' multiplications, the first factor is
:
and if this is also interpreted as a matrix multiplication, the sum over all states integrates over all , and so it takes the
Fourier transform
In mathematics, the Fourier transform (FT) is an integral transform that takes a function as input then outputs another function that describes the extent to which various frequencies are present in the original function. The output of the tr ...
in to change basis to . That is the action on the Hilbert space –
change basis to at time .
Next comes
:
or
evolve an infinitesimal time into the future.
Finally, the last factor in this interpretation is
:
which means
change basis back to at a later time.
This is not very different from just ordinary time evolution: the factor contains all the dynamical information – it pushes the state forward in time. The first part and the last part are just Fourier transforms to change to a pure basis from an intermediate basis.
Another way of saying this is that since the Hamiltonian is naturally a function of and , exponentiating this quantity and changing basis from to at each step allows the matrix element of to be expressed as a simple function along each path. This function is the quantum analog of the classical action. This observation is due to
Paul Dirac
Paul Adrien Maurice Dirac ( ; 8 August 1902 – 20 October 1984) was an English mathematician and Theoretical physics, theoretical physicist who is considered to be one of the founders of quantum mechanics. Dirac laid the foundations for bot ...
.
Dirac further noted that one could square the time-evolution operator in the representation:
:
and this gives the time-evolution operator between time and time . While in the representation the quantity that is being summed over the intermediate states is an obscure matrix element, in the representation it is reinterpreted as a quantity associated to the path. In the limit that one takes a large power of this operator, one reconstructs the full quantum evolution between two states, the early one with a fixed value of and the later one with a fixed value of . The result is a sum over paths with a phase, which is the quantum action.
Classical limit
Crucially, Dirac identified the effect of the
classical limit
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 ...
on the quantum form of the action principle:
That is, in the limit of action that is large compared to the
Planck constant
The Planck constant, or Planck's constant, denoted by h, is a fundamental physical constant of foundational importance in quantum mechanics: a photon's energy is equal to its frequency multiplied by the Planck constant, and the wavelength of a ...
– the classical limit – the path integral is dominated by solutions that are in the neighborhood of
stationary point
In mathematics, particularly in calculus, a stationary point of a differentiable function of one variable is a point on the graph of a function, graph of the function where the function's derivative is zero. Informally, it is a point where the ...
s of the action. The classical path arises naturally in the classical limit.
Feynman's interpretation
Dirac's work did not provide a precise prescription to calculate the sum over paths, and he did not show that one could recover the Schrödinger equation or the
canonical commutation relation
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 p ...
s from this rule. This was done by Feynman.
Feynman showed that Dirac's quantum action was, for most cases of interest, simply equal to the classical action, appropriately discretized. This means that the classical action is the phase acquired by quantum evolution between two fixed endpoints. He proposed to recover all of quantum mechanics from the following postulates:
# The
probability
Probability is a branch of mathematics and statistics concerning events and numerical descriptions of how likely they are to occur. The probability of an event is a number between 0 and 1; the larger the probability, the more likely an e ...
for an event is given by the
squared modulus of a complex number called the "probability amplitude".
# The
probability amplitude
In quantum mechanics, a probability amplitude is a complex number used for describing the behaviour of systems. The square of the modulus of this quantity at a point in space represents a probability density at that point.
Probability amplitu ...
is given by adding together the contributions of all paths in configuration space.
# The contribution of a path is proportional to , where is the
action
Action may refer to:
* Action (philosophy), something which is done by a person
* Action principles the heart of fundamental physics
* Action (narrative), a literary mode
* Action fiction, a type of genre fiction
* Action game, a genre of video gam ...
given by the
time integral of the
Lagrangian along the path.
In order to find the overall probability amplitude for a given process, then, one adds up, or
integrates, the amplitude of the 3rd postulate over the space of ''all'' possible paths of the system in between the initial and final states, including those that are absurd by classical standards. In calculating the probability amplitude for a single particle to go from one space-time coordinate to another, it is correct to include paths in which the particle describes elaborate
curlicues, curves in which the particle shoots off into outer space and flies back again, and so forth. The path integral assigns to all these amplitudes ''equal weight'' but varying
phase
Phase or phases may refer to:
Science
*State of matter, or phase, one of the distinct forms in which matter can exist
*Phase (matter), a region of space throughout which all physical properties are essentially uniform
*Phase space, a mathematica ...
, or argument of the
complex number
In mathematics, a complex number is an element of a number system that extends the real numbers with a specific element denoted , called the imaginary unit and satisfying the equation i^= -1; every complex number can be expressed in the for ...
. Contributions from paths wildly different from the classical trajectory may be suppressed by
interference
Interference is the act of interfering, invading, or poaching. Interference may also refer to:
Communications
* Interference (communication), anything which alters, modifies, or disrupts a message
* Adjacent-channel interference, caused by extra ...
(see below).
Feynman showed that this formulation of quantum mechanics is equivalent to the
canonical approach to quantum mechanics when the Hamiltonian is at most quadratic in the momentum. An amplitude computed according to Feynman's principles will also obey the
Schrödinger equation
The Schrödinger equation is a partial differential equation that governs the wave function of a non-relativistic quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. It is named after E ...
for the
Hamiltonian
Hamiltonian may refer to:
* Hamiltonian mechanics, a function that represents the total energy of a system
* Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system
** Dyall Hamiltonian, a modified Hamiltonian ...
corresponding to the given action.
The path integral formulation of quantum field theory represents the
transition amplitude (corresponding to the classical
correlation function) as a weighted sum of all possible histories of the system from the initial to the final state. A
Feynman diagram
In theoretical physics, a Feynman diagram is a pictorial representation of the mathematical expressions describing the behavior and interaction of subatomic particles. The scheme is named after American physicist Richard Feynman, who introduced ...
is a graphical representation of a
perturbative
In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which ...
contribution to the transition amplitude.
Path integral in quantum mechanics
Time-slicing derivation
One common approach to deriving the path integral formula is to divide the time interval into small pieces. Once this is done, the
Trotter product formula tells us that the noncommutativity of the kinetic and potential energy operators can be ignored.
For a particle in a smooth potential, the path integral is approximated by
zigzag
A zigzag is a pattern made up of small corners at variable angles, though constant within the zigzag, tracing a path between two parallel lines; it can be described as both jagged and fairly regular.
In geometry, this pattern is described as a ...
paths, which in one dimension is a product of ordinary integrals. For the motion of the particle from position at time to at time , the time sequence
:
can be divided up into smaller segments , where , of fixed duration
:
This process is called ''time-slicing''.
An approximation for the path integral can be computed as proportional to
:
where is the Lagrangian of the one-dimensional system with position variable and velocity considered (see below), and corresponds to the position at the th time step, if the time integral is approximated by a sum of terms.
[For a simplified, step-by-step derivation of the above relation, se]
Path Integrals in Quantum Theories: A Pedagogic 1st Step
In the limit , this becomes a
functional integral, which, apart from a nonessential factor, is directly the product of the probability amplitudes (more precisely, since one must work with a continuous spectrum, the respective densities) to find the quantum mechanical particle at in the initial state and at in the final state .
Actually is the classical
Lagrangian of the one-dimensional system considered,
:
and the abovementioned "zigzagging" corresponds to the appearance of the terms
:
in the
Riemann sum
In mathematics, a Riemann sum is a certain kind of approximation of an integral by a finite sum. It is named after nineteenth century German mathematician Bernhard Riemann. One very common application is in numerical integration, i.e., approxima ...
approximating the time integral, which are finally integrated over to with the integration measure , is an arbitrary value of the interval corresponding to , e.g. its center, .
Thus, in contrast to classical mechanics, not only does the stationary path contribute, but actually all virtual paths between the initial and the final point also contribute.
Path integral
In terms of the wave function in the position representation, the path integral formula reads as follows:
:
where
denotes integration over all paths
with
and where
is a normalization factor. Here
is the action, given by
:
Free particle
The path integral representation gives the quantum amplitude to go from point to point as an integral over all paths. For a free-particle action (for simplicity let , )
:
the integral can be evaluated explicitly.
To do this, it is convenient to start without the factor in the exponential, so that large deviations are suppressed by small numbers, not by cancelling oscillatory contributions. The amplitude (or Kernel) reads:
:
Splitting the integral into time slices:
:
where the is interpreted as a finite collection of integrations at each integer multiple of . Each factor in the product is a Gaussian as a function of centered at with variance . The multiple integrals are a repeated
convolution
In mathematics (in particular, functional analysis), convolution is a operation (mathematics), mathematical operation on two function (mathematics), functions f and g that produces a third function f*g, as the integral of the product of the two ...
of this Gaussian with copies of itself at adjacent times:
:
where the number of convolutions is . The result is easy to evaluate by taking the Fourier transform of both sides, so that the convolutions become multiplications:
:
The Fourier transform of the Gaussian is another Gaussian of reciprocal variance:
:
and the result is
:
The Fourier transform gives , and it is a Gaussian again with reciprocal variance:
:
The proportionality constant is not really determined by the time-slicing approach, only the ratio of values for different endpoint choices is determined. The proportionality constant should be chosen to ensure that between each two time slices the time evolution is quantum-mechanically unitary, but a more illuminating way to fix the normalization is to consider the path integral as a description of a
stochastic process
In probability theory and related fields, a stochastic () or random process is a mathematical object usually defined as a family of random variables in a probability space, where the index of the family often has the interpretation of time. Sto ...
.
The result has a probability interpretation. The sum over all paths of the exponential factor can be seen as the sum over each path of the probability of selecting that path. The probability is the product over each segment of the probability of selecting that segment, so that each segment is probabilistically independently chosen. The fact that the answer is a Gaussian spreading linearly in time is the
central limit theorem
In probability theory, the central limit theorem (CLT) states that, under appropriate conditions, the Probability distribution, distribution of a normalized version of the sample mean converges to a Normal distribution#Standard normal distributi ...
, which can be interpreted as the first historical evaluation of a statistical path integral.
The probability interpretation gives a natural normalization choice. The path integral should be defined so that
:
This condition normalizes the Gaussian and produces a kernel that obeys the diffusion equation:
:
For oscillatory path integrals, ones with an in the numerator, the time slicing produces convolved Gaussians, just as before. Now, however, the convolution product is marginally singular, since it requires careful limits to evaluate the oscillating integrals. To make the factors well defined, the easiest way is to add a small imaginary part to the time increment . This is closely related to
Wick rotation
In physics, Wick rotation, named after Italian physicist Gian Carlo Wick, is a method of finding a solution to a mathematical problem in Minkowski space from a solution to a related problem in Euclidean space by means of a transformation that sub ...
. Then the same convolution argument as before gives the propagation kernel:
:
which, with the same normalization as before (not the sum-squares normalization – this function has a divergent norm), obeys a free Schrödinger equation:
:
This means that any superposition of s will also obey the same equation, by linearity. Defining
:
then obeys the free Schrödinger equation just as does:
:
Simple harmonic oscillator
The Lagrangian for the simple harmonic oscillator is
:
Write its trajectory as the classical trajectory plus some perturbation, and the action as . The classical trajectory can be written as
:
This trajectory yields the classical action
:
Next, expand the deviation from the classical path as a Fourier series, and calculate the contribution to the action , which gives
:
This means that the propagator is
:
for some normalization
:
Using the infinite-product representation of the
sinc function
In mathematics, physics and engineering, the sinc function ( ), denoted by , has two forms, normalized and unnormalized..
In mathematics, the historical unnormalized sinc function is defined for by
\operatorname(x) = \frac.
Alternatively, ...
,
:
the propagator can be written as
:
Let . One may write this propagator in terms of energy eigenstates as
:
Using the identities and , this amounts to
:
One may absorb all terms after the first into , thereby obtaining
:
One may finally expand in powers of : All terms in this expansion get multiplied by the factor in the front, yielding terms of the form
:
Comparison to the above eigenstate expansion yields the standard energy spectrum for the simple harmonic oscillator,
:
Coulomb potential
Feynman's time-sliced approximation does not, however, exist for the most important quantum-mechanical path integrals of atoms, due to the singularity of the
Coulomb potential
Electric potential (also called the ''electric field potential'', potential drop, the electrostatic potential) is defined as electric potential energy per unit of electric charge. More precisely, electric potential is the amount of work (physic ...
at the origin. Only after replacing the time by another path-dependent pseudo-time parameter
:
the singularity is removed and a time-sliced approximation exists, which is exactly integrable, since it can be made harmonic by a simple coordinate transformation, as discovered in 1979 by
İsmail Hakkı Duru and
Hagen Kleinert. The combination of a path-dependent time transformation and a coordinate transformation is an important tool to solve many path integrals and is called generically the
Duru–Kleinert transformation.
The Schrödinger equation
The path integral reproduces the Schrödinger equation for the initial and final state even when a potential is present. This is easiest to see by taking a path-integral over infinitesimally separated times.
:
Since the time separation is infinitesimal and the cancelling oscillations become severe for large values of , the path integral has most weight for close to . In this case, to lowest order the potential energy is constant, and only the kinetic energy contribution is nontrivial. (This separation of the kinetic and potential energy terms in the exponent is essentially the
Trotter product formula.) The exponential of the action is
:
The first term rotates the phase of locally by an amount proportional to the potential energy. The second term is the free particle propagator, corresponding to times a diffusion process. To lowest order in they are additive; in any case one has with (1):
:
As mentioned, the spread in is diffusive from the free particle propagation, with an extra infinitesimal rotation in phase that slowly varies from point to point from the potential:
:
and this is the Schrödinger equation. The normalization of the path integral needs to be fixed in exactly the same way as in the free particle case. An arbitrary continuous potential does not affect the normalization, although singular potentials require careful treatment.
Equations of motion
Since the states obey the Schrödinger equation, the path integral must reproduce the Heisenberg equations of motion for the averages of and variables, but it is instructive to see this directly. The direct approach shows that the expectation values calculated from the path integral reproduce the usual ones of quantum mechanics.
Start by considering the path integral with some fixed initial state
:
Now at each separate time is a separate integration variable. So it is legitimate to change variables in the integral by shifting: where is a different shift at each time but , since the endpoints are not integrated:
:
The change in the integral from the shift is, to first infinitesimal order in :
:
which, integrating by parts in , gives:
:
But this was just a shift of integration variables, which doesn't change the value of the integral for any choice of . The conclusion is that this first order variation is zero for an arbitrary initial state and at any arbitrary point in time:
:
this is the Heisenberg equation of motion.
If the action contains terms that multiply and , at the same moment in time, the manipulations above are only heuristic, because the multiplication rules for these quantities is just as noncommuting in the path integral as it is in the operator formalism.
Stationary-phase approximation
If the variation in the action exceeds by many orders of magnitude, we typically have destructive interference other than in the vicinity of those trajectories satisfying the
Euler–Lagrange equation
In the calculus of variations and classical mechanics, the Euler–Lagrange equations are a system of second-order ordinary differential equations whose solutions are stationary points of the given action functional. The equations were discovered ...
, which is now reinterpreted as the condition for constructive interference. This can be shown using the method of stationary phase applied to the propagator. As decreases, the exponential in the integral oscillates rapidly in the complex domain for any change in the action. Thus, in the limit that goes to zero, only points where the classical action does not vary contribute to the propagator.
Canonical commutation relations
The formulation of the path integral does not make it clear at first sight that the quantities and do not commute. In the path integral, these are just integration variables and they have no obvious ordering. Feynman discovered that the non-commutativity is still present.
To see this, consider the simplest path integral, the brownian walk. This is not yet quantum mechanics, so in the path-integral the action is not multiplied by :
:
The quantity is fluctuating, and the derivative is defined as the limit of a discrete difference.
:
The distance that a random walk moves is proportional to , so that:
:
This shows that the random walk is not differentiable, since the ratio that defines the derivative diverges with probability one.
The quantity is ambiguous, with two possible meanings:
:
:
In elementary calculus, the two are only different by an amount that goes to 0 as goes to 0. But in this case, the difference between the two is not 0:
:
Let
:
Then is a rapidly fluctuating statistical quantity, whose average value is 1, i.e. a normalized "Gaussian process". The fluctuations of such a quantity can be described by a statistical Lagrangian
:
and the equations of motion for derived from extremizing the action corresponding to just set it equal to 1. In physics, such a quantity is "equal to 1 as an operator identity". In mathematics, it "weakly converges to 1". In either case, it is 1 in any expectation value, or when averaged over any interval, or for all practical purpose.
Defining the time order to ''be'' the operator order:
:
This is called the
Itō lemma in
stochastic calculus
Stochastic calculus is a branch of mathematics that operates on stochastic processes. It allows a consistent theory of integration to be defined for integrals of stochastic processes with respect to stochastic processes. This field was created an ...
, and the (euclideanized) canonical commutation relations in physics.
For a general statistical action, a similar argument shows that
:
and in quantum mechanics, the extra imaginary unit in the action converts this to the canonical commutation relation,
:
Particle in curved space
For a particle in curved space the
kinetic term
In quantum field theory, a kinetic term is any term in the Lagrangian that is bilinear in the fields and has at least one derivative. Fields with kinetic terms are dynamical and together with mass terms define a free field theory. Their form i ...
depends on the position, and the above time slicing cannot be applied, this being a manifestation of the notorious
operator ordering problem
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 sp ...
in Schrödinger quantum mechanics. One may, however, solve this problem by transforming the time-sliced flat-space path integral to curved space using a multivalued coordinate transformation (
nonholonomic mapping explaine
here.
Measure-theoretic factors
Sometimes (e.g. a particle moving in curved space) we also have measure-theoretic factors in the functional integral:
:
This factor is needed to restore unitarity.
For instance, if
:
then it means that each spatial slice is multiplied by the measure . This measure cannot be expressed as a functional multiplying the measure because they belong to entirely different classes.
Expectation values and matrix elements
Matrix elements of the kind
take the form
:
.
This generalizes to multiple operators, for example
:
,
and to the general vacuum expectation value (in the large time limit)
:
.
Euclidean path integrals
It is very common in path integrals to perform a
Wick rotation
In physics, Wick rotation, named after Italian physicist Gian Carlo Wick, is a method of finding a solution to a mathematical problem in Minkowski space from a solution to a related problem in Euclidean space by means of a transformation that sub ...
from real to imaginary times. In the setting of quantum field theory, the Wick rotation changes the geometry of space-time from Lorentzian to Euclidean; as a result, Wick-rotated path integrals are often called Euclidean path integrals.
Wick rotation and the Feynman–Kac formula
If we replace
by
, the time-evolution operator
is replaced by
. (This change is known as a
Wick rotation
In physics, Wick rotation, named after Italian physicist Gian Carlo Wick, is a method of finding a solution to a mathematical problem in Minkowski space from a solution to a related problem in Euclidean space by means of a transformation that sub ...
.) If we repeat the derivation of the path-integral formula in this setting, we obtain
:
,
where
is the Euclidean action, given by
:
.
Note the sign change between this and the normal action, where the potential energy term is negative. (The term ''Euclidean'' is from the context of quantum field theory, where the change from real to imaginary time changes the space-time geometry from Lorentzian to Euclidean.)
Now, the contribution of the kinetic energy to the path integral is as follows:
:
where
includes all the remaining dependence of the integrand on the path. This integral has a rigorous mathematical interpretation as integration against the
Wiener measure
In mathematics, the Wiener process (or Brownian motion, due to its historical connection with the physical process of the same name) is a real-valued continuous-time stochastic process discovered by Norbert Wiener. It is one of the best know ...
, denoted
. The Wiener measure, constructed by
Norbert Wiener
Norbert Wiener (November 26, 1894 – March 18, 1964) was an American computer scientist, mathematician, and philosopher. He became a professor of mathematics at the Massachusetts Institute of Technology ( MIT). A child prodigy, Wiener late ...
gives a rigorous foundation to
Einstein's mathematical model of Brownian motion. The subscript
indicates that the measure
is supported on paths
with
.
We then have a rigorous version of the Feynman path integral, known as the
Feynman–Kac formula
The Feynman–Kac formula, named after Richard Feynman and Mark Kac, establishes a link between parabolic partial differential equations and stochastic processes. In 1947, when Kac and Feynman were both faculty members at Cornell University, Kac ...
:
:
,
where now
satisfies the Wick-rotated version of the Schrödinger equation,
:
.
Although the Wick-rotated Schrödinger equation does not have a direct physical meaning, interesting properties of the Schrödinger operator
can be extracted by studying it.
Much of the study of quantum field theories from the path-integral perspective, in both the mathematics and physics literatures, is done in the Euclidean setting, that is, after a Wick rotation. In particular, there are various results showing that if a Euclidean field theory with suitable properties can be constructed, one can then undo the Wick rotation to recover the physical, Lorentzian theory. On the other hand, it is much more difficult to give a meaning to path integrals (even Euclidean path integrals) in quantum field theory than in quantum mechanics.
[For a brief account of the origins of these difficulties, see ]
Path integral and the partition function
The path integral is just the generalization of the integral above to all quantum mechanical problems—
:
is the
action
Action may refer to:
* Action (philosophy), something which is done by a person
* Action principles the heart of fundamental physics
* Action (narrative), a literary mode
* Action fiction, a type of genre fiction
* Action game, a genre of video gam ...
of the classical problem in which one investigates the path starting at time and ending at time , and
denotes the integration measure over all paths. In the classical limit,
, the path of minimum action dominates the integral, because the phase of any path away from this fluctuates rapidly and different contributions cancel.
The connection with
statistical mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. Sometimes called statistical physics or statistical thermodynamics, its applicati ...
follows. Considering only paths that begin and end in the same configuration, perform the
Wick rotation
In physics, Wick rotation, named after Italian physicist Gian Carlo Wick, is a method of finding a solution to a mathematical problem in Minkowski space from a solution to a related problem in Euclidean space by means of a transformation that sub ...
, i.e., make time imaginary, and integrate over all possible beginning-ending configurations. The Wick-rotated path integral—described in the previous subsection, with the ordinary action replaced by its "Euclidean" counterpart—now resembles the
partition function of statistical mechanics defined in a
canonical ensemble
In statistical mechanics, a canonical ensemble is the statistical ensemble that represents the possible states of a mechanical system in thermal equilibrium with a heat bath at a fixed temperature. The system can exchange energy with the hea ...
with inverse temperature proportional to imaginary time, . Strictly speaking, though, this is the partition function for a
statistical field theory
In theoretical physics, statistical field theory (SFT) is a theoretical framework that describes phase transitions. It does not denote a single theory but encompasses many models, including for magnetism, superconductivity, superfluidity, topologi ...
.
Clearly, such a deep analogy between quantum mechanics and statistical mechanics cannot be dependent on the formulation. In the canonical formulation, one sees that the unitary evolution operator of a state is given by
:
where the state is evolved from time . If one makes a Wick rotation here, and finds the amplitude to go from any state, back to the same state in (imaginary) time is given by
: