Symmetrizer: Difference between revisions
imported>Paul Wormer (New page: {{subpages}} In quantum mechanics, a '''symmetrizer''' <font style="vertical-align: text-top"> <math> \mathcal{S}</math></font> (also known as '''symmetrizing operator''') is a linear...) |
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'''2.''' It is fairly easy to normalize a projected orbital product Ψ. | '''2.''' It is fairly easy to normalize a projected orbital product Ψ, i.e., to compute the normalization constant ''K'' from the following: | ||
:<math> | :<math> | ||
1 = K^2 \langle \mathcal{S} \Psi | \mathcal{S} \Psi \rangle =K^2 \langle \Psi | \mathcal{S} \Psi \rangle. | 1 = K^2 \langle \mathcal{S} \Psi | \mathcal{S} \Psi \rangle =K^2 \langle \Psi | \mathcal{S} \Psi \rangle. | ||
</math> | </math> | ||
The rightmost side follows from the hermiticity and idempotency of the symmetrizer. | The rightmost side follows from the hermiticity and idempotency of the symmetrizer. | ||
Assuming ''M'' orthonormal spin-orbitals we introduce the occupation representation | |||
:<math> | :<math> | ||
\Psi \rightarrow |\,n_1, n_2, \ldots, n_M \rangle \equiv (\psi_1)^{n_1}\; (\psi_2)^{n_2}\cdots(\psi_M)^{n_M} \quad\hbox{with}\quad N=n_1+n_2+\cdots+n_M= \sum_{k=1}^M n_k, | \Psi \rightarrow |\,n_1, n_2, \ldots, n_M \rangle \equiv (\psi_1)^{n_1}\; (\psi_2)^{n_2}\cdots(\psi_M)^{n_M} \quad\hbox{with}\quad N=n_1+n_2+\cdots+n_M= \sum_{k=1}^M n_k, | ||
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\begin{align} | \begin{align} | ||
1 &= K^2 \langle n_1, n_2, \ldots, n_M | \mathcal{S} | n_1, n_2, \ldots, n_M \rangle \\ | 1 &= K^2 \langle n_1, n_2, \ldots, n_M | \mathcal{S} | n_1, n_2, \ldots, n_M \rangle \\ | ||
&= \frac{K^2}{N!} \sum_{P \in S_N} \langle n_1, n_2, \ldots, n_M | \hat{P} | n_1, n_2, \ldots, n_M \rangle \\ | |||
&= K^2 \frac{1}{N!} (n_1)!(n_2)!\cdots (n_M)! \\ | &= K^2 \frac{1}{N!} (n_1)!(n_2)!\cdots (n_M)! \\ | ||
\end{align} | \end{align} | ||
</math> | </math> | ||
Here we used that a permutation can be factorized | |||
:<math> | :<math> | ||
K = \left({N \ | \hat{P} = \hat{C}\hat{P}_1 \quad\hbox{with}\quad \hat{P}_1 \in S_{n_1}\otimes S_{n_2}\otimes\cdots \otimes S_{n_M} \sub S_N | ||
</math> | |||
where the elements <font style="vertical-align: top"><math>\hat{P}_1</math></font> leave the orbital product invariant and the left [[coset]] generator <font style="vertical-align: top"><math>\hat{C}</math></font> moves coordinates from an orbital to one that is orthogonal to it. The only coset generator that gives a non-vanishing contribution is the identity. Hence only the | |||
(''n''<sub>1</sub>!)×(''n''<sub>2</sub>!)× ... ×(''n''<sub>M</sub>!) elements of the subgroup give a non-vanishing contribution, which is unity because the spin-orbitals are normalized. | |||
For ''K'' we obtain now | |||
:<math> | |||
K = \left({N \atop n_1\,n_2\,\cdots n_M}\right)^{1/2} | |||
</math> | </math> | ||
where the [[multinomial coefficient]] is | where the [[multinomial coefficient]] is | ||
:<math> | :<math> | ||
\left({N \ | \left({N \atop n_1\,n_2\,\cdots n_M}\right) \equiv \frac{N!}{(n_1)!(n_2)!\cdots (n_M)!}. | ||
</math> | </math> | ||
In summary, the following is a normalized and symmetrized boson-orbital product, | |||
:<math> | :<math> | ||
\left({N \ | \left({N \atop n_1\,n_2\,\cdots n_M}\right)^{1/2}\; \mathcal{S}\; |\,n_1, n_2, \ldots, n_M \rangle . | ||
</math> | </math> | ||
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* [[Slater determinant]] | * [[Slater determinant]] | ||
* [[Identical particles]] | * [[Identical particles]] | ||
[[Category:Suggestion Bot Tag]] |
Latest revision as of 07:01, 24 October 2024
In quantum mechanics, a symmetrizer (also known as symmetrizing operator) is a linear operator that makes a wave function of N identical bosons symmetric under the exchange of the coordinates of any pair of bosons. After application of the wave function satisfies the Pauli principle. Since is a projection operator, application of the symmetrizer to a wave function that is already totally symmetric has no effect, is effectively the identity operator when acting on symmetric wave functions.
Mathematical definition
Consider a wave function depending on the space and spin coordinates of N bosons:
where the position vector ri of particle i is a vector in and σi takes on 2I+1 values, where I is the integral intrinsic spin of the boson. For instance, photons have I = 1 and σ can have three values 1, 0, −1. We define a transposition operator that interchanges the coordinates of particle i and j. In general this operator will not be equal to the identity operator (although in special cases it may be).
The Pauli principle postulates that a wave function of identical bosons must be an eigenfunction of a transposition operator with unity as eigenvalue
Here we associated the transposition operator with the permutation of coordinates π that acts on the set of N coordinates. In this case π = (ij), where (ij) is the cycle notation for the transposition of the coordinates of particle i and j.
Transpositions may be composed (applied in sequence). This defines a product between the transpositions that is associative. Since an arbitrary permutation of N objects can be written as a product of transpositions, it holds for a symmetric function Ψ that
where we associated the linear operator with the permutation π.
The set of all N! permutations with the associative product: "apply one permutation after the other", is a group, known as the permutation group or symmetric group, denoted by SN. After this preamble we are ready to give the definition of the symmetrizer
Properties of the symmetrizer
In the representation theory of finite groups the symmetrizer is a well-known object, because the map of all permutations onto unity forms a one-dimensional (and hence irreducible) representation of the permutation group known as the symmetric representation. The symmetrizer is the character projection operator corresponding to the symmetric representation and is therefore idempotent,
This has the consequence that for any N-particle wave function Ψ(1, ...,N) we have
Either Ψ does not have a symmetric component, and then the symmetrizer projects onto zero, or it has one and then the symmetrizer projects out this symmetric component Ψ'. The symmetrizer carries a left and a right representation of the group:
with the operator representing the coordinate permutation π. Now it holds, for any N-particle wave function Ψ(1, ...,N) with a non-vanishing symmetric component, that
showing that the non-vanishing component is indeed symmetric.
Permutations of identical particles are unitary, (the Hermitian adjoint is equal to the inverse of the operator), so that the antisymmetrizer is Hermitian,
The symmetrizer commutes with any observable (Hermitian operator corresponding to a physical—observable—quantity)
If it were otherwise, measurement of could distinguish the particles, in contradiction with the assumption that only the coordinates of indistinguishable particles are affected by the symmetrizer.
Connection with the permanent
In the special case that the wave function to be symmetrized is a product of spin-orbitals
the symmetrizer yields a constant times a permanent:
The quantity in curly bracket is a permanent, which is the exact analogue of a determinant, with all N! terms having a plus sign. The correspondence follows immediately from the Leibniz formula for permanents, which reads
where B is the matrix
To see the correspondence we notice that the particle labels, permuted by the terms in the symmetrizer, indicate the different columns (particle labels are second indices). The first indices are orbital indices, n1, ..., nN indicating the rows.
Examples
1. By the definition of the symmetrizer
Consider the unnormalized permanent
By the Laplace expansion along the first row of D
so that
By comparing terms we see that
2. It is fairly easy to normalize a projected orbital product Ψ, i.e., to compute the normalization constant K from the following:
The rightmost side follows from the hermiticity and idempotency of the symmetrizer. Assuming M orthonormal spin-orbitals we introduce the occupation representation
where nk gives the number of times the orbital ψk is occupied, i.e., the number of times it appear in the product wave function. Note that nk = 0 implies an unoccupied orbital, one that does not appear in the product. Under the condition that the orbitals are orthonormal, we find
Here we used that a permutation can be factorized
where the elements leave the orbital product invariant and the left coset generator moves coordinates from an orbital to one that is orthogonal to it. The only coset generator that gives a non-vanishing contribution is the identity. Hence only the (n1!)×(n2!)× ... ×(nM!) elements of the subgroup give a non-vanishing contribution, which is unity because the spin-orbitals are normalized. For K we obtain now
where the multinomial coefficient is
In summary, the following is a normalized and symmetrized boson-orbital product,