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WAVE FUNCTION

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A 'wave function' is a mathematical tool that quantum mechanics uses to describe any physical system. It is a function from a space that consists of the possible states of the system into the complex numbers. That is to say, a wave function describes the shape occupied by all of the states of a system overlaid into a single form.
The laws of quantum mechanics (i.e. the Schrödinger equation) describe how the wave function evolves over time. The values of the wave function are probability amplitudes—complex numbers—the squares of the absolute values of which give the probability distribution that the system will be in any of the possible states.
For example: In an atom with a single electron, such as hydrogen, the wave function of the electron provides a complete description of how the electron behaves. For this single electron, it can occupy any point between a certain distance from the center of the atom to a large distance away. Because it is most likely to be between these two distances, the wave function can be approximated by a fuzzy sphere, as shown in S-1 in the diagram below.
This sphere can be decomposed into a series of atomic orbitals which form a basis for the possible wave functions. For atoms with more than one electron (or any system with multiple particles), the underlying space is the possible configuration of all the electrons, and the wave function describes the probabilities of those configurations. S-2 Is the wave function for two electrons, P2 is the wave function for 3, and so on.
The electron probability density for the first few hydrogen atom electron orbitals shown as cross-sections. These orbitals form an orthonormal basis for the wave function of the electron.


Contents
Definition
Interpretation
One particle in one spatial dimension
One particle in three spatial dimensions
Two distinguishable particles in three spatial dimensions
One particle in one dimensional momentum space
Spin 1/2
Interpretation
Finite vectors
Infinite vectors
Continuously indexed vectors (functions)
Formalism
Ontology
Notes
See also
References

Definition


The modern usage of the term ''wave function'' refers to a complex vector or function, i.e. an element in a complex Hilbert space. Typically, a wave function is either:

★ a complex vector with finitely many components
: ec psi = egin{bmatrix} c_1 \ dots \ c_n end{bmatrix},

★ a complex vector with infinitely many components
: ec psi = egin{bmatrix} c_1 \ dots \ c_n \ dots end{bmatrix},

★ or a complex function of one or more real variables (a "continuously indexed" complex vector)
:psi(x_1, , ldots , x_n).
In all cases, the wave function provides a complete description of the associated physical system. An element of a vector space can be expressed in different bases; the same applies to wave functions. The wave function describing the same physical state takes different forms depending on the basis being used.
Because the probabilities that the system is in each possible state should add up to 1, the norm of the wave function must be 1.

Interpretation


The physical interpretation of the wave function is context dependent. Several examples are
provided below, followed by a detailed discussion of the three cases described above.
One particle in one spatial dimension

The spatial wave function associated with a particle in one dimension is a complex function psi(x), defined over the real line. The positive function |psi|^2, is interpreted as the probability density associated with the particle's position. That is, the probability of a measurement of the particle's position yielding a value in the interval [a, b] is given by
:mathbf{P}_{ab} = int_{a}^{b} |psi(x)|^2, dx .
This leads to the normalization condition
: int_{-infty}^{infty} |psi(x)|^2, dx = 1 quad .
since the probability of a measurement of the particle's position yielding a value in the range (-infty, infty) is unity.
One particle in three spatial dimensions

The three dimensional case is analogous to the one dimensional case; the wave function is a complex function psi(x, y, z), defined over three dimensional space, and its complex square is interpreted as a three dimensional probability density function:
:mathbf{P}_R = int_R |psi(x, y, z)|^2 , dV
The normalization condition is likewise
: int |psi(x, y, z)|^2, dV = 1
where the preceding integral is taken over all space.
Two distinguishable particles in three spatial dimensions

In this case, the wave function is a complex function of ''six'' spatial variables, psi(x_1, y_1, z_1, x_2, y_2, z_2) , and |psi|^2, is the joint probability density associated with the positions of both particles. Thus the probability that a measurement of the positions of ''both particles'' indicates particle one is in region R and particle two is in region S is
:mathbf{P}_{R,S} = int_R int_S |psi|^2 , dV_2 , dV_1
where dV_1 = dx_1 dy_1 dz_1, and similarly for dV_2.
The normalization condition is then:
:int int |psi(x, y, z)|^2 , dV_2 , dV_1 = 1
in which the preceding integral is taken over the full range of all six variables.
Given a wave function of ψ of a systems consisting of two (or more) particles, it is in general not possible to assign a definite wave function to a single-particle subsystem. In other words, the particles in the system can be entangled.
One particle in one dimensional momentum space

The wave function for a one dimensional particle in momentum space is a complex function psi(p), defined over the real line. The quantity |psi|^2, is interpreted as a probability density function in momentum space:
:mathbf{P}_{ab} = int_{a}^{b} |psi(p)|^2, dp
As in the position space case, this leads to the normalization condition:
:int_{-infty}^{infty} |psi(p)|^2, dp = 1 .
Spin 1/2

The wave function for a spin 1/2 particle (ignoring its spatial degrees of freedom) is a column vector
: ec psi = egin{bmatrix} c_1 \ c_2 end{bmatrix}.
The meaning of the vector's components depends on the basis, but typically c_1
and c_2 are respectively the coefficients of spin up and spin down in the z
direction. In Dirac notation this is:
:| psi
angle = c_1 | uparrow_z
angle + c_2 | downarrow_z
angle
The values |c_1|^2 , and |c_2|^2 , are then respectively interpreted as the probability of obtaining spin up or spin down in the z direction when a measurement of the particle's spin is performed. This leads to the normalization condition
:|c_1|^2 + |c_2|^2 = 1,.

Interpretation


A wave function describes the state of a physical system by expanding it in terms of other states of the same system. We shall denote the state of the system under consideration as | psi
angle, and the states into which it is being expanded as | phi_i
angle. Collectively the latter are referred to as a ''basis'' or ''representation''. In what follows, all wave functions are assumed to be normalized.
Finite vectors

A wave function which is a vector ec psi with n components describes how to express the state of the physical system | psi
angle as the linear combination of finitely many basis elements | phi_i
angle, where i runs from 1 to n. In particular the equation
: ec psi = egin{bmatrix} c_1 \ dots \ c_n end{bmatrix},
which is a relation between column vectors, is equivalent to
:|psi
angle = sum_{i = 1}^n c_i | phi_i
angle,
which is a relation between the states of a physical system. Note that to pass between these expressions one must know the basis in use, and hence, two column vectors with the same components can represent two different states of a system if their associated basis states are different. An example of a wave function which is a finite vector is furnished by the spin state of a spin-1/2 particle, as described above.
The physical meaning of the components of ec psi is given by the wave function collapse postulate:
:If the states | phi_i
angle have distinct, definite values, lambda_i, of some dynamical variable (e.g. momentum, position, etc) and a measurement of that variable is performed on a system in the state
::|psi
angle = sum_i c_i | phi_i
angle
:then the probability of measuring lambda_i is |c_i|^2, and if the measurement yields lambda_i, the system is left in the state | phi_i
angle.
Infinite vectors

The case of an infinite vector with a discrete index is treated in the same manner a finite vector, except the sum is extended over all the basis elements. Hence
: ec psi = egin{bmatrix} c_1 \ dots \ c_n \ dots end{bmatrix}
is equivalent to
:|psi
angle = sum_{i} c_i | psi_i
angle,
where it is understood that the above sum includes all the components of ec psi. The interpretation of the components is the same as the finite case (apply the collapse postulate).
Continuously indexed vectors (functions)

In the case of a continuous index, the sum is replaced by an integral; an example of this is the spatial wave function of a particle in one dimension, which expands the physical state of the particle, | psi
angle, in terms of states with definite position, | x
angle. Thus
:| psi
angle = int_{-infty}^{infty} psi(x) | x
angle,dx.
Note that | psi
angle is ''not'' the same as psi(x),. The former is
the actual state of the particle, whereas the latter is simply a wave function
describing how to express the former as a superposition of states with definite position. In this case the base states themselves can be expressed as
:| x_0
angle = int_{-infty}^{infty} delta(x - x_0) | x
angle,dx
and hence the spatial wave function associated with | x_0
angle is delta(x - x_0), (where delta(x - x_0), is the Dirac delta function).

Formalism


Given an isolated physical system, the allowed states of this system (i.e. the states the system could occupy without violating the laws of physics) are part of a Hilbert space H. Some properties of such a space are
:1. If | psi
angle and | phi
angle are two allowed states, then
:::a | psi
angle + b | phi
angle
:is also an allowed state, provided |a|^2+|b|^2=1. (This condition is due to normalisation.)
:2. There is always an orthonormal basis of allowed states of the vector space ''H''.
The wave function associated with a particular state may be seen as an expansion of the state in a basis of H. For example,
:{ |uparrow_z
angle, |downarrow_z
angle }
is a basis for the space associated with the spin of a spin-1/2 particle and consequently
the spin state of any such particle can be written uniquely as
:a|uparrow_z
angle + b|downarrow_z
angle.
Sometimes it is useful to expand the state of a physical system in terms of states which are ''not'' allowed, and hence, not in H. An example of this is the spacial wave function associated with a particle in one dimension which expands the state of the particle in terms of states with definite position.
Every Hilbert space H is equipped with an inner product. Physically, the nature of the inner product is contingent upon the kind of basis in use. When the basis is a countable set { | phi_i
angle },, and orthonormal, i.e.
:langle phi_i | phi_j
angle = delta_{ij}.
Then an arbitrary vector | psi
angle can be expressed as
:| psi
angle = sum_i c_i | phi_i
angle
where c_i = langle phi_i | psi
angle.
If one chooses a "continuous" basis as, for example, the ''position'' or ''coordinate'' basis consisting of all states of definite position { | x
angle }, the orthonormality condition holds similarly:
:langle x | x'
angle = delta(x - x').
We have the analogous identity
:langle x | int psi(x') | x'
angle ,dx' = int psi(x') delta(x - x'),dx' = psi(x).

Ontology


Whether the wave function is real, and what it represents, are major questions in the interpretation of quantum mechanics. Many famous physicists have puzzled over this problem, such as Schrödinger. Some approaches regard it as merely representing information in the mind of the observer. Others argue that it must be objective:

"If we are to believe that any one thing in the formalism is 'actually' real for a quantum system, then I think it has to be the wavefunction or state vector that describes quantum reality."
[1]

Notes


1. Penrose,R. Road To Reality, p508

See also



Boson - particles with symmetric wave function under permutation (i.e. switching positions)

Fermion - particles with antisymmetric wave function under permutation

Normalisable wave function

Schrödinger equation

Wave function collapse

Wave packet

Particle in a box

References



Introduction to Quantum Mechanics (2nd ed.), Griffiths, David J., , , Prentice Hall, 2004, ISBN 0-13-805326-X

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