Energy of Hydrogen 1s using simplified Schrodinger equation

In summary, the Hamiltonian and wavefunction for the ground state of the hydrogen atom H(1s1) are given, in atomic units, as ## \hat {H} = - \frac{1}{2} \nabla^2 - \frac {1}{r} ## and ## \phi(1s) = \sqrt {\frac {1}{\pi }} e^{-r} ## respectively. The simplified form of the Laplacian in polar coordinates is ## \nabla^2 = \frac{\mathrm{d^2} }{\mathrm{d} r^2} + \frac {2}{r}\frac{\mathrm{d} }{\mathrm{d} r} ##
  • #1
Xilus1
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Homework Statement


[/B]
The Hamiltonian and wavefunction for the ground state of the hydrogen atom H(1s1) are given,
in atomic units, as ## \hat {H} = - \frac{1}{2} \nabla^2 - \frac {1}{r} ## and ## \phi(1s) = \sqrt {\frac {1}{\pi }} e^{-r} ## . Using the radial portion of the Laplacian in the simplified form ## \nabla^2 = \frac{\mathrm{d^2} }{\mathrm{d} r^2} \frac{\mathrm{d} }{\mathrm{d} r} ## (Basically ignoring the Legendrian)

Verify that the total energy equals -0.5 (Hartree) for H (1s1)

I have a couple of issues here:

The first issue comes from the way question shows the simplified form of the Laplacian (polar coordinates). Looking up the simplified Laplacian (just the radial component) online shows me ## \nabla^2 = \frac {1}{r^2} \frac{\mathrm{d} }{\mathrm{d} r} r^2 \frac{\mathrm{d} }{\mathrm{d} r} ## I don't see how they are the same thing?

Additionally, from my reading, I understand that there should be a centrifugal term in the Hamiltonian here. Usually of the form ## - \frac {l(l+1)}{r^2} ## . I assume its omitted because a s-electron has l=0 ?

My notes/online resources show how to work this problem with centrifugal term included and the common simplified Laplacian, ## \nabla^2 = \frac {1}{r^2} \frac{\mathrm{d} }{\mathrm{d} r} r^2 \frac{\mathrm{d} }{\mathrm{d} r} ##. I know the fist step (once you set up the SE) is to make use of a decaying exponential solution but I'm just unsure of how to get there in the way the question is set up. Any help would be much appreciated.

Homework Equations

The Attempt at a Solution



## \psi(r,\theta,\phi) = R(r)Y(\theta,\Phi) ##

## -\frac{1}{2} \left \{\frac{\mathrm{d^2} }{\mathrm{d} r^2} + \frac {2}{r}\frac{\mathrm{d} }{\mathrm{d} r} - \frac {1}{r} \right \}R(r) = ER(r) ##

## \alpha = -2E ##

## \frac{\mathrm{d^2} }{\mathrm{d} r^2}R(r) + \frac {2}{r}\frac{\mathrm{d} }{\mathrm{d} r}R(r) - \frac {1}{r} R(r) = \alpha R(r) ##
 
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  • #2
Xilus1 said:
Using the radial portion of the Laplacian in the simplified form ## \nabla^2 = \frac{\mathrm{d^2} }{\mathrm{d} r^2} \frac{\mathrm{d} }{\mathrm{d} r} ## (Basically ignoring the Legendrian)
Is this really what the problem states? If so it is clearly a typo, the laplacian is a second order differential operator, not a third order one.
Xilus1 said:
I assume its omitted because a s-electron has l=0 ?
Yes.

Finding the energy should just be a matter of insertion into the SE and solving for E.
 
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  • #3
My apologies, its not third order. The question gives the laplacian as :

$$ \nabla^2 = \frac{\mathrm{d^2} }{\mathrm{d} r^2} + \frac {2}{r} \frac{\mathrm{d} }{\mathrm{d} r} $$
 
  • #4
Xilus1 said:
My apologies, its not third order. The question gives the laplacian as :

$$ \nabla^2 = \frac{\mathrm{d^2} }{\mathrm{d} r^2} + \frac {2}{r} \frac{\mathrm{d} }{\mathrm{d} r} $$
That is correct and indeed the same thing as
$$
\frac{1}{r^2}\frac{d}{dr} r^2 \frac{d}{dr}.
$$
In order to see that they are indeed the same differential operator, try applying the latter to any function ##f(r)## and see what comes out in terms of ##r## and derivatives of ##f(r)##.
 
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  • #5
I have worked through it and managed to convert between the two. I guess I just needed confirmation that they are indeed the same. Thank you so much!
 

1. What is the simplified Schrodinger equation?

The simplified Schrodinger equation is a mathematical equation that describes the behavior of a single electron in an atom. It takes into account the electron's kinetic energy, potential energy, and wave-like properties.

2. How does the simplified Schrodinger equation apply to the energy of Hydrogen 1s?

The simplified Schrodinger equation can be used to calculate the energy of the Hydrogen 1s orbital. This is because the simplified equation is specifically designed for one-electron systems, such as the Hydrogen atom.

3. What is the significance of the energy of Hydrogen 1s?

The energy of Hydrogen 1s is significant because it is the lowest energy state of the Hydrogen atom. This means that the electron in the 1s orbital is closest to the nucleus and is the most stable state for the Hydrogen atom.

4. How does the energy of Hydrogen 1s relate to the energy levels of other atoms?

The energy of Hydrogen 1s is the baseline for the energy levels of other atoms. This is because other atoms' electron energy levels can be calculated by modifying the simplified Schrodinger equation to account for additional electrons and different atomic structures.

5. Can the simplified Schrodinger equation be used to calculate the energy of other orbitals?

Yes, the simplified Schrodinger equation can be used to calculate the energy of other orbitals, such as the 2s and 2p orbitals. However, the equation becomes more complex as the number of electrons and atomic structure increase, so it may not be as accurate for larger atoms.

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