Expectation values r and x for electron in H2 ground state

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SUMMARY

The discussion focuses on calculating the expectation values of the radial distance \( r \) and the Cartesian coordinate \( x \) for an electron in the ground state of the hydrogen molecule (H2). The wave function used is \( \psi_{100} = \frac {1}{\sqrt{\pi a^{3}}} e^{-r/a} \). The expectation value \( \langle r \rangle \) is determined to be \( \frac{3}{2}a \) and \( \langle r^{2} \rangle \) is calculated as \( 3a^{2} \). The relationship \( r^{2} = 3x^{2} \) leads to the conclusion that \( \langle x^{2} \rangle = a^{2} \), while the value of \( \langle x \rangle \) remains ambiguous due to symmetry considerations.

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Homework Statement


upload_2015-5-13_23-4-52.png


Homework Equations


$$ \psi_{100} = \frac {1}{\sqrt{\pi a^{3}}} e^{-r/a} $$

The Attempt at a Solution


a)
$$\langle r \rangle = \frac {1}{\pi a^{3}} \int_0^{2 \pi} d \phi \int_{0}^\pi d \theta \int_0^{\infty} r^{3} e^{-2r/a} dr$$
This comes out to be ##\frac {3}{2}a##

$$\langle r^{2} \rangle = \frac {1}{\pi a^{3}} \int_0^{2 \pi} d \phi \int_{0}^\pi d \theta \int_0^{\infty} r^{4} e^{-2r/a} dr$$
Which comes out as ##3a^{2}##

b)
I know ##r^{2} = 3x^{2}##, so the answer for the expectation value of ##x^{2}## is one third the expectation value of ##r^{2}##, therefore ##\langle x^{2} \rangle = a^{2}##

However, I am confused how to find ##\langle x \rangle##. Do I just say ##x = r sin \theta##, therefore ##dx = sin \theta dr + r cos \theta d \theta##?
 
Last edited:
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<x> is easy to find by symmetry, but you can calculate the integral if you want.
 
Yes, I am confused how to exploit the symmetry
 
Do you expect the electron to be on average more on the left or the right side? Does that question even make sense as you don't know where left and right are?
 
Okay, I suppose that makes sense, but then why would the square x coordinate not be zero then? By the same reasoning
 
Maylis said:
Okay, I suppose that makes sense, but then why would the square x coordinate not be zero then? By the same reasoning

Because a measurement of ##x^2## is positive so the expected value can't be 0.
 

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