Calculating potential energy of hydrogen atom

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SUMMARY

This discussion focuses on calculating the potential energy and its uncertainty for a hydrogen atom in the state defined by the wavefunction $$ \psi_{2,1,-1} $$, specifically using the formulas for expectation values $$ \left< \frac 1 r \right> $$ and $$ \left< \frac 1 {r^2} \right> $$. The calculated expectation values are $$ \left< \frac 1 r \right> = \frac 1 {4a_0} $$ and $$ \left< \frac 1 {r^2} \right> = \frac 1 {12a^2_0} $$, leading to a potential energy expectation of $$ \left< V \right> = -\frac {e^2} {16 \pi \varepsilon_0 a_0 }$$. The uncertainty in potential energy was corrected to $$ \Delta V = \frac {e^2} {\sqrt {768} \pi \varepsilon_0 a_0 } $$ after addressing the confusion between total energy and potential energy.

PREREQUISITES
  • Quantum mechanics fundamentals, specifically wavefunctions and expectation values
  • Understanding of hydrogen atom energy levels and potential energy concepts
  • Familiarity with mathematical operations involving integrals and square roots
  • Knowledge of physical constants such as $$ e $$ (elementary charge) and $$ \varepsilon_0 $$ (vacuum permittivity)
NEXT STEPS
  • Study the derivation of expectation values in quantum mechanics
  • Learn about the significance of stationary states in quantum systems
  • Explore the relationship between potential energy and total energy in quantum mechanics
  • Investigate the implications of uncertainty in quantum measurements
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Students and professionals in physics, particularly those focusing on quantum mechanics, atomic physics, and anyone involved in calculations related to the hydrogen atom's energy states.

Leechie
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Homework Statement


Calculate ##\left< \frac 1 r \right>## and ##\left< \frac 1 {r^2} \right>## and the expectation value and uncertainty of the potential energy of the electron and proton for a hydrogen atom in the given state.

The given state is:
$$ \psi_{2,1,-1} \left( r,\theta,\phi \right) = \left( \frac 1 {64 \pi a^3_0} \right)^{1/2} \frac r {a_0} e^{-r/2a_0} \sin(\theta) e^{-i\phi}$$

Homework Equations



The Attempt at a Solution


I've calculated the expectation values for ##\left< \frac 1 r \right>## and ## \left< \frac 1 {r^2} \right> ## which I think are right. The values I've got are:
$$ \left< \frac 1 r \right> = \frac 1 {4a_0} $$ $$ \left< \frac 1 {r^2} \right> = \frac 1 {12a^2_0} $$
The expectation for the potential energy I've got is:
$$ \left< E \right> = - \frac {e^2} {4 \pi \varepsilon_0} \left< \frac 1 r \right> = -\frac {e^2} {16 \pi \varepsilon_0 a_0 }$$
This is where I'm getting a bit confused. I'm trying to use ## \Delta E = \sqrt {\left< E^2 \right> - \left< E \right>^2 }## to find the uncertainty. I thought it should equal zero since the question relates to a stationary state but I'm getting:

For ##\left< E^2 \right>## I've got:
$$ \left< E^2 \right> = - \frac {e^4} {256 \pi^2 \varepsilon^2_0 a^2_0 } \left< \frac 1 {r^2} \right> = -\frac {e^4} {3072 \pi^2 \varepsilon^2_0 a^2_0 }$$
So for the uncertainty I've got:
$$\begin{align} \Delta E & = \sqrt {\left< E^2 \right> - \left< E \right>^2 } \nonumber \\ & = \sqrt {-\frac {e^4} {3072 \pi^2 \varepsilon^2_0 a^2_0 } - \left( -\frac {e^2} {16 \pi \varepsilon_0 a_0 } \right)^2 } \nonumber \\ & = \sqrt {-\frac {e^4} {3072 \pi^2 \varepsilon^2_0 a^2_0 } + \frac {e^4} {256 \pi^2 \varepsilon^2_0 a^2_0 } } \nonumber \\ & = \sqrt {-\frac 1 {3072} + \frac 1 {256} } \nonumber \\ & = \sqrt {\frac {11} {3072} } \end{align}$$
Can anyone help with this please.
 
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You're working with the potential energy V, rather than the total energy E. So, it might be less confusing to use the symbol V rather than E.
This is where I'm getting a bit confused. I'm trying to use ## \Delta E = \sqrt {\left< E^2 \right> - \left< E \right>^2 }## to find the uncertainty. I thought it should equal zero since the question relates to a stationary state
The wavefunction is not an eigenstate of the potential energy operator ##V##. So, do you expect ##\Delta V## to be zero?
Leechie said:
For ##\left< E^2 \right>## I've got:
$$ \left< E^2 \right> = - \frac {e^4} {256 \pi^2 \varepsilon^2_0 a^2_0 } \left< \frac 1 {r^2} \right> $$
The factor of 256 in this expression does not look correct.
[Edit: Also, the overall dimensions of this expression are incorrect for the square of an energy.]
 
Last edited:
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Thanks for your reply TSny.

You're right about changing the the symbol ##E## to ##V##. I think using ##E## instead of ##V## is what was confusing me when thinking about the uncertainty.

I think I seen where I've gone wrong with my value for ##\left< V^2 \right>##. I've corrected it to:
$$\left< V^2 \right> = \frac {e^4} {16 \pi^2 \varepsilon^2_0 } \left< \frac {1} {r^2} \right> = \frac {e^4} {192 \pi^2 \varepsilon^2_0 a^2_0 } $$
So my uncertainty equation now looks like:
$$\begin{align} \Delta V & = \sqrt {\left< V^2 \right> - \left< V \right>^2} \nonumber \\ & = \sqrt { \frac {e^4} {192 \pi^2 \varepsilon^2_0 a^2_0 } - \left( - \frac {e^2} {16 \pi \varepsilon_0 a_0 } \right)^2 } \nonumber \\ & = \sqrt { \frac {e^4} {192 \pi^2 \varepsilon^2_0 a^2_0 } - \frac {e^4} {256 \pi^2 \varepsilon^2_0 a^2_0 } } \nonumber \\ & = \frac {e^2} {\sqrt {768} \pi \varepsilon_0 a_0 } \nonumber \end{align}$$
Which I think looks better, would you agree?
 
Yes, that looks good to me.
 
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Great. Thanks for your help!
 

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