Day: December 14, 2015

Angular momentum expectation values

December 14, 2015 phy1520 No comments ,

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Q: [1] pr 3.18

Compute the expectation values for the first and second powers of the angular momentum operators with respect to states \( \ket{lm} \).

A:

We can write the expectation values for the \( L_z \) powers immediately

\begin{equation}\label{eqn:angularMomentumExpectation:20}
\expectation{L_z}
= m \Hbar,
\end{equation}

and

\begin{equation}\label{eqn:angularMomentumExpectation:40}
\expectation{L_z^2} = (m \Hbar)^2.
\end{equation}

For the x and y components first express the operators in terms of the ladder operators.

\begin{equation}\label{eqn:angularMomentumExpectation:60}
\begin{aligned}
L_{+} &= L_x + i L_y \\
L_{-} &= L_x – i L_y.
\end{aligned}
\end{equation}

Rearranging gives

\begin{equation}\label{eqn:angularMomentumExpectation:80}
\begin{aligned}
L_x &= \inv{2} \lr{ L_{+} + L_{-} } \\
L_y &= \inv{2i} \lr{ L_{+} – L_{-} }.
\end{aligned}
\end{equation}

The first order expectations \( \expectation{L_x}, \expectation{L_y} \) are both zero since \( \expectation{L_{+}} = \expectation{L_{-}} \). For the second order expectation values we have

\begin{equation}\label{eqn:angularMomentumExpectation:100}
\begin{aligned}
L_x^2
&= \inv{4} \lr{ L_{+} + L_{-} } \lr{ L_{+} + L_{-} } \\
&= \inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} + L_{+} L_{-} + L_{-} L_{+} } \\
&= \inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} + 2 (L_x^2 + L_y^2) } \\
&= \inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} + 2 (\BL^2 – L_z^2) },
\end{aligned}
\end{equation}

and
\begin{equation}\label{eqn:angularMomentumExpectation:120}
\begin{aligned}
L_y^2
&= -\inv{4} \lr{ L_{+} – L_{-} } \lr{ L_{+} – L_{-} } \\
&= -\inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} – L_{+} L_{-} – L_{-} L_{+} } \\
&= -\inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} – 2 (L_x^2 + L_y^2) } \\
&= -\inv{4} \lr{ L_{+} L_{+} + L_{-} L_{-} – 2 (\BL^2 – L_z^2) }.
\end{aligned}
\end{equation}

Any expectation value \( \bra{lm} L_{+} L_{+} \ket{lm} \) or \( \bra{lm} L_{-} L_{-} \ket{lm} \) will be zero, leaving

\begin{equation}\label{eqn:angularMomentumExpectation:140}
\begin{aligned}
\expectation{L_x^2}
&=
\expectation{L_y^2} \\
&=
\inv{4} \expectation{2 (\BL^2 – L_z^2) } \\
&=
\inv{2} \lr{ \Hbar^2 l(l+1) – (\Hbar m)^2 }.
\end{aligned}
\end{equation}

Observe that we have
\begin{equation}\label{eqn:angularMomentumExpectation:160}
\expectation{L_x^2}
+
\expectation{L_y^2}
+
\expectation{L_z^2}
=
\Hbar^2 l(l+1)
=
\expectation{\BL^2},
\end{equation}

which is the quantum mechanical analogue of the classical scalar equation \( \BL^2 = L_x^2 + L_y^2 + L_z^2 \).

References

[1] Jun John Sakurai and Jim J Napolitano. Modern quantum mechanics. Pearson Higher Ed, 2014.

Expectation of spherically symmetric 3D potential derivative

December 14, 2015 phy1520 No comments , , , , , ,

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Q: [1] pr 5.16

For a particle in a spherically symmetric potential \( V(r) \) show that

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:20}
\Abs{\psi(0)}^2 = \frac{m}{2 \pi \Hbar^2} \expectation{ \frac{dV}{dr} },
\end{equation}

for all s-states, ground or excited.

Then show this is the case for the 3D SHO and hydrogen wave functions.

A:

The text works a problem that looks similar to this by considering the commutator of an operator \( A \), later set to \( A = p_r = -i \Hbar \PDi{r}{} \) the radial momentum operator. First it is noted that

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:40}
0 = \bra{nlm} \antisymmetric{H}{A} \ket{nlm},
\end{equation}

since \( H \) operating to either the right or the left is the energy eigenvalue \( E_n \). Next it appears the author uses an angular momentum factoring of the squared momentum operator. Looking earlier in the text that factoring is found to be

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:60}
\frac{\Bp^2}{2m}
= \inv{2 m r^2} \BL^2 – \frac{\Hbar^2}{2m} \lr{ \PDSq{r}{} + \frac{2}{r} \PD{r}{} }.
\end{equation}

With
\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:80}
R = – \frac{\Hbar^2}{2m} \lr{ \PDSq{r}{} + \frac{2}{r} \PD{r}{} }.
\end{equation}

we have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:100}
\begin{aligned}
0
&= \bra{nlm} \antisymmetric{H}{p_r} \ket{nlm} \\
&= \bra{nlm} \antisymmetric{\frac{\Bp^2}{2m} + V(r)}{p_r} \ket{nlm} \\
&= \bra{nlm} \antisymmetric{\inv{2 m r^2} \BL^2 + R + V(r)}{p_r} \ket{nlm} \\
&= \bra{nlm} \antisymmetric{\frac{-\Hbar^2 l (l+1)}{2 m r^2} + R + V(r)}{p_r} \ket{nlm}.
\end{aligned}
\end{equation}

Let’s consider the commutator of each term separately. First

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:120}
\begin{aligned}
\antisymmetric{V}{p_r} \psi
&=
V p_r \psi

p_r V \psi \\
&=
V p_r \psi

(p_r V) \psi

V p_r \psi \\
&=

(p_r V) \psi \\
&=
i \Hbar \PD{r}{V} \psi.
\end{aligned}
\end{equation}

Setting \( V(r) = 1/r^2 \), we also have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:160}
\antisymmetric{\inv{r^2}}{p_r} \psi
=
-\frac{2 i \Hbar}{r^3} \psi.
\end{equation}

Finally
\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:180}
\begin{aligned}
\antisymmetric{\PDSq{r}{} + \frac{2}{r} \PD{r}{} }{ \PD{r}{}}
&=
\lr{ \partial_{rr} + \frac{2}{r} \partial_r } \partial_r

\partial_r \lr{ \partial_{rr} + \frac{2}{r} \partial_r } \\
&=
\partial_{rrr} + \frac{2}{r} \partial_{rr}

\lr{
\partial_{rrr} -\frac{2}{r^2} \partial_r + \frac{2}{r} \partial_{rr}
} \\
&=
-\frac{2}{r^2} \partial_r,
\end{aligned}
\end{equation}

so
\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:200}
\antisymmetric{R}{p_r}
=-\frac{2}{r^2} \frac{-\Hbar^2}{2m} p_r
=\frac{\Hbar^2}{m r^2} p_r.
\end{equation}

Putting all the pieces back together, we’ve got
\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:220}
\begin{aligned}
0
&= \bra{nlm} \antisymmetric{\frac{-\Hbar^2 l (l+1)}{2 m r^2} + R + V(r)}{p_r} \ket{nlm} \\
&=
i \Hbar
\bra{nlm} \lr{
\frac{\Hbar^2 l (l+1)}{m r^3} – \frac{i\Hbar}{m r^2} p_r +
\PD{r}{V}
}
\ket{nlm}.
\end{aligned}
\end{equation}

Since s-states are those for which \( l = 0 \), this means

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:240}
\begin{aligned}
\expectation{\PD{r}{V}}
&= \frac{i\Hbar}{m } \expectation{ \inv{r^2} p_r } \\
&= \frac{\Hbar^2}{m } \expectation{ \inv{r^2} \PD{r}{} } \\
&= \frac{\Hbar^2}{m } \int_0^\infty dr \int_0^\pi d\theta \int_0^{2 \pi} d\phi r^2 \sin\theta \psi^\conj(r,\theta, \phi) \inv{r^2} \PD{r}{\psi(r,\theta,\phi)}.
\end{aligned}
\end{equation}

Since s-states are spherically symmetric, this is
\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:260}
\expectation{\PD{r}{V}}
= \frac{4 \pi \Hbar^2}{m } \int_0^\infty dr \psi^\conj \PD{r}{\psi}.
\end{equation}

That integral is

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:280}
\int_0^\infty dr \psi^\conj \PD{r}{\psi}
=
\evalrange{\Abs{\psi}^2}{0}{\infty} – \int_0^\infty dr \PD{r}{\psi^\conj} \psi.
\end{equation}

With the hydrogen atom, our radial wave functions are real valued. It’s reasonable to assume that we can do the same for other real-valued spherical potentials. If that is the case, we have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:300}
2 \int_0^\infty dr \psi^\conj \PD{r}{\psi}
=
\Abs{\psi(0)}^2,
\end{equation}

and

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:320}
\boxed{
\expectation{\PD{r}{V}}
= \frac{2 \pi \Hbar^2}{m } \Abs{\psi(0)}^2,
}
\end{equation}

which completes this part of the problem.

A: show this is the case for the 3D SHO and hydrogen wave functions

For a hydrogen like atom, in atomic units, we have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:360}
\begin{aligned}
\expectation{
\PD{r}{V}
}
&=
\expectation{
\PD{r}{} \lr{ -\frac{Z e^2}{r} }
} \\
&=
Z e^2
\expectation
{
\inv{r^2}
} \\
&=
Z e^2 \frac{Z^2}{n^3 a_0^2 \lr{ l + 1/2 }} \\
&=
\frac{\Hbar^2}{m a_0} \frac{2 Z^3}{n^3 a_0^2} \\
&=
\frac{2 \Hbar^2 Z^3}{m n^3 a_0^3}.
\end{aligned}
\end{equation}

On the other hand for \( n = 1 \), we have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:380}
\begin{aligned}
\frac{2 \pi \Hbar^2}{m} \Abs{R_{10}(0)}^2 \Abs{Y_{00}}^2
&=
\frac{2 \pi \Hbar^2}{m} \frac{Z^3}{a_0^3} 4 \inv{4 \pi} \\
&=
\frac{2 \Hbar^2 Z^3}{m a_0^3},
\end{aligned}
\end{equation}

and for \( n = 2 \), we have

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:400}
\begin{aligned}
\frac{2 \pi \Hbar^2}{m} \Abs{R_{20}(0)}^2 \Abs{Y_{00}}^2
&=
\frac{2 \pi \Hbar^2}{m} \frac{Z^3}{8 a_0^3} 4 \inv{4 \pi} \\
&=
\frac{\Hbar^2 Z^3}{4 m a_0^3}.
\end{aligned}
\end{equation}

These both match the potential derivative expectation when evaluated for the s-orbital (\( l = 0 \)).

For the 3D SHO I verified the ground state case in the Mathematica notebook sakuraiProblem5.16bSHO.nb

There it was found that

\begin{equation}\label{eqn:symmetricPotentialDerivativeExpectation:420}
\expectation{\PD{r}{V}}
= \frac{2 \pi \Hbar^2}{m } \Abs{\psi(0)}^2
= 2 \sqrt{\frac{m \omega ^3 \Hbar}{ \pi }}
\end{equation}

References

[1] Jun John Sakurai and Jim J Napolitano. Modern quantum mechanics. Pearson Higher Ed, 2014.