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by Pravegaa Education
Chapter 4

Commutators and Conjugate Variables in Quantum Mechanics

4.1  Commutator and its Properties

  • Commutator: \([\hat A,\hat B]=\hat A\hat B-\hat B\hat A\).

  • Properties:

    • Antisymmetry: \([\hat A,\hat B]=-[\hat B,\hat A]\)

    • Linearity: \([\hat A,\hat B+\hat C+\hat D]=[\hat A,\hat B]+[\hat A,\hat C]+[\hat A,\hat D]\)

    • Product rules: \([\hat A\hat B,\hat C]=\hat A[\hat B,\hat C]+[\hat A,\hat C]\hat B\),   \([\hat A,\hat B\hat C]=[\hat A,\hat B]\hat C+\hat B[\hat A,\hat C]\)

    • Jacobi identity: \([\hat A,[\hat B,\hat C]]+[\hat B,[\hat C,\hat A]]+[\hat C,[\hat A,\hat B]]=0\)

    • Hermitian conjugate: \([\hat A,\hat B]^\dagger=[\hat B^\dagger,\hat A^\dagger]\)

    • With a scalar: \([\hat A,a]=0\)

    • Powers: \[[\hat A,\hat B^n]=\sum_{j=0}^{n-1}\hat B^j[\hat A,\hat B]\hat B^{n-j-1},\qquad [\hat A^n,\hat B]=\sum_{j=0}^{n-1}\hat A^{n-j-1}[\hat A,\hat B]\hat A^j.\]

Commuting Operators and Simultaneous Eigenfunctions

  • Let \(\hat A,\hat B\) be Hermitian (observables) with \(\hat A\left|\psi\right\rangle=a\left|\psi\right\rangle\), \(\hat B\left|\psi\right\rangle=b\left|\psi\right\rangle\) — a simultaneous eigenfunction.

  • Then \(\hat B\hat A\left|\psi\right\rangle=ab\left|\psi\right\rangle\) and \(\hat A\hat B\left|\psi\right\rangle=ba\left|\psi\right\rangle\) \(\Rightarrow[\hat A,\hat B]\left|\psi\right\rangle=0\): \(\left|\psi\right\rangle\) is an eigenfunction of \([\hat A,\hat B]\) with eigenvalue zero.

  • If \(\hat A,\hat B\) commute, \([\hat A,\hat B]\left|\psi\right\rangle=0\) for every \(\left|\psi\right\rangle\).

Theorem: commuting operators have common eigenfunctions

  • Let \(\hat A\left|\psi\right\rangle=a\left|\psi\right\rangle\) and \([\hat A,\hat B]=0\). Then \(\hat A(\hat B\left|\psi\right\rangle)=\hat B\hat A\left|\psi\right\rangle=a(\hat B\left|\psi\right\rangle)\).

  • So \(\hat B\left|\psi\right\rangle\) (if non-zero) is an eigenfunction of \(\hat A\) with the same eigenvalue \(a\).

  • (i) Non-degenerate \(a\): only one state has eigenvalue \(a\) \(\Rightarrow\hat B\left|\psi\right\rangle=b\left|\psi\right\rangle\). Here \([\hat A,\hat B]\left|\psi\right\rangle=0\) is necessary and sufficient for a simultaneous eigenfunction.

  • (ii) Degenerate \(a\) (say \(\left|\psi_1\right\rangle,\left|\psi_2\right\rangle\), orthonormal): any \(\left|\psi\right\rangle=c_1\left|\psi_1\right\rangle+c_2\left|\psi_2\right\rangle\) is an eigenfunction of \(\hat A\), not necessarily of \(\hat B\). Demand \[\hat B(c_1\left|\psi_1\right\rangle+c_2\left|\psi_2\right\rangle)=b(c_1\left|\psi_1\right\rangle+c_2\left|\psi_2\right\rangle).\]

  • Project on \(\left|\psi_1\right\rangle,\left|\psi_2\right\rangle\) with \(B_{ij}=\left\langle \psi_i\middle|\hat B\middle|\psi_j\right\rangle\): \[c_1(B_{11}-b)+c_2B_{12}=0,\qquad c_1B_{21}+c_2(B_{22}-b)=0.\]

  • Non-trivial solution: \(\begin{vmatrix}B_{11}-b&B_{12}\\B_{21}&B_{22}-b\end{vmatrix}=0\) (secular equation).

  • Distinct roots \(b_1\ne b_2\) \(\Rightarrow\) two independent eigenfunctions of \(\hat B\): the degeneracy is resolved by \(\hat B\).

  • Equal roots (with \(\hat B\) Hermitian) \(\Rightarrow B_{11}=B_{22}\), \(B_{12}=B_{21}^*=0\): any \(c_1,c_2\) work; \(\left|\psi_1\right\rangle,\left|\psi_2\right\rangle\) are degenerate for both \(\hat A\) and \(\hat B\).

  • Generalizes to \(N\)-fold degeneracy: \(N\) distinct roots resolve it completely; otherwise add a third commuting operator \(\hat C\), and so on, until a complete set of commuting observables labels each state uniquely.

Set of commuting observables — summary

  • If \([A,B]=0\) and \(\left|\psi\right\rangle\) is an eigenvector of \(A\), then \(B\left|\psi\right\rangle\) is an eigenvector of \(A\) with the same eigenvalue.

  • If \([A,B]=0\) and \(\left|\psi_1\right\rangle,\left|\psi_2\right\rangle\) are eigenvectors of \(A\) with different eigenvalues, then \(\left\langle \psi_1\middle|B\middle|\psi_2\right\rangle =0\).

  • If \([A,B]=0\), an orthonormal basis of eigenvectors common to \(A\) and \(B\) can be built.

4.2  Functions of Operators

  • A function of an operator is defined by its power series: \(F(\hat A)=\sum_na_n\hat A^n\); e.g. \(\exp(a\hat A)=\displaystyle\sum_n\frac{a^n}{n!}\hat A^n\).

  • \([F(\hat A),G(\hat A)]=0\);   if \([\hat A,\hat B]=0\) then \([\hat B,F(\hat A)]=0\).

  • \([F(\hat A)]^\dagger=F^*(\hat A^\dagger)\); e.g. \([\exp(ia\hat A)]^\dagger=\exp(-ia^*\hat A^\dagger)\).

  • Baker–Campbell–Hausdorff (when \([\hat A,\hat B]\) commutes with \(\hat A\) and \(\hat B\)): \[e^{\hat A}e^{\hat B}=e^{\hat A+\hat B}\,e^{[\hat A,\hat B]/2}.\]

  • General expansion: \[e^{\hat A}\hat Be^{-\hat A}=\hat B+[\hat A,\hat B]+\frac1{2!}[\hat A,[\hat A,\hat B]]+\frac1{3!}[\hat A,[\hat A,[\hat A,\hat B]]]+\cdots\]

  • Useful: \([\hat x,F(\hat p)]=i\hbar F'(\hat p)\) and \([\hat p,F(\hat x)]=-i\hbar F'(\hat x)\).

Example 4.1   Position–momentum commutators

\(\hat P_x=-i\hbar\,\partial_x\), \(\hat X\psi=x\psi\). Find (a) \([\hat X,\hat P_x]\); (b) \([\hat X^2,\hat P_x]\) and \([\hat X,\hat P_x^2]\); (c) \([\hat X^2,\hat P_x^2]\).

Solution

  • (a)  \([\hat X,\hat P_x]\psi=x(-i\hbar\psi')+i\hbar(x\psi)'=i\hbar\psi\) \(\Rightarrow[\hat X,\hat P_x]=i\hbar\).

  • (b)  \([\hat X^2,\hat P_x]=\hat X[\hat X,\hat P_x]+[\hat X,\hat P_x]\hat X=2i\hbar\hat X\);   \([\hat X,\hat P_x^2]=\hat P_x[\hat X,\hat P_x]+[\hat X,\hat P_x]\hat P_x=2i\hbar\hat P_x\).

  • (c)  \([\hat X^2,\hat P_x^2]=\hat X[\hat X,\hat P_x^2]+[\hat X,\hat P_x^2]\hat X=2i\hbar(\hat X\hat P_x+\hat P_x\hat X)\).

Example 4.2   Commuting matrices

\(\hat A=a\begin{pmatrix}1&0\\0&1\end{pmatrix}\), \(\hat B=b\begin{pmatrix}0&1\\1&0\end{pmatrix}\). (a) Find \([\hat A,\hat B]\). (b) Write the eigenvectors of \(\hat B\) in the eigenbasis of \(\hat A\).

Solution

  • (a)  \(\hat A\hat B-\hat B\hat A=ab\begin{pmatrix}0&1\\1&0\end{pmatrix}-ba\begin{pmatrix}0&1\\1&0\end{pmatrix}=0\): they commute.

  • (b)  \(\hat A\): \(\left|a_1\right\rangle=\begin{pmatrix}1\\0\end{pmatrix}\), \(\left|a_2\right\rangle=\begin{pmatrix}0\\1\end{pmatrix}\), both eigenvalue \(a\) (degenerate).

  • \(\hat B\): \(\left|b_1\right\rangle=\frac1{\sqrt2}\begin{pmatrix}1\\1\end{pmatrix}\) (\(+b\)), \(\left|b_2\right\rangle=\frac1{\sqrt2}\begin{pmatrix}1\\-1\end{pmatrix}\) (\(-b\)).

  • \(\left|b_1\right\rangle=\frac1{\sqrt2}(\left|a_1\right\rangle+\left|a_2\right\rangle)\),   \(\left|b_2\right\rangle=\frac1{\sqrt2}(\left|a_1\right\rangle-\left|a_2\right\rangle)\) — common eigenvectors of both.

Example 4.3   Parity commutes with a symmetric Hamiltonian

For \(V(-x)=V(x)\), prove \([\hat H,\hat\pi]=0\), where \(\hat H=-\dfrac{\hbar^2}{2m}\partial_x^2+V(x)\).

Solution

  • \(\hat H\hat\pi\psi(x)=\hat H\psi(-x)=-\dfrac{\hbar^2}{2m}\dfrac{\partial^2\psi(-x)}{\partial x^2}+V(x)\psi(-x)\).

  • \(\hat\pi\hat H\psi(x)=-\dfrac{\hbar^2}{2m}\dfrac{\partial^2\psi(-x)}{\partial(-x)^2}+V(-x)\psi(-x)\)

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