Trouble converting integral from cartesian to spherical coords.

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SUMMARY

This discussion focuses on the conversion of integrals from Cartesian to spherical coordinates, specifically in the context of computing the expectation value of the Hamiltonian for a hydrogen atom using the trial wavefunction Ψ = e-αr. The participant seeks clarification on whether the factor of r2sin(θ) should be included when applying the Laplacian operator (∇2) during the conversion. The consensus is that while the volume element requires this factor, the derivatives in the Laplacian do not necessitate it, as they are already accounted for in the spherical coordinate formulation.

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Zoil
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Homework Statement



Specifically, this question is about computing the expectation value of the Hamiltonian of a variational calculation of a hydrogen atom *neglecting the potential term. I'm assuming the trial wavefunction e^{-\alpha r}. The question, however, is purely math based, not quantum mechanical.

I'm having trouble understanding how to properly convert an integral from Cartesian coordinates to spherical coordinates. I know that I must add a factor of r^2\sin\(\theta\) when going from dxdydz to dr d\theta d\varphi. but what if the expression I am integrating has an operator (specifically, \nabla^2)? Do I need to account for r^2\sin\(\theta\) when I am taking the derivatives?

Homework Equations



Trial Wavefunction:
\Psi = e^{-\alpha r}
Laplacian in spherical coords:
\nabla^2 = {1 \over r^2} {\partial \over \partial r} \left( r^2 {\partial \over \partial r} \right) + {1 \over r^2 \sin \varphi} {\partial \over \partial \varphi} \left( \sin \varphi {\partial \over \partial \varphi} \right) + {1 \over r^2 \sin^2 \varphi} {\partial^2 \over \partial \theta^2}

The Attempt at a Solution



Here's the equation:
\langle \psi | H | \psi \rangle
and then when I plug in \psi and \nabla^2 and the integrals, I get:
<br /> \frac{i\hbar}{2m} \iiint e^{-\alpha r} \left( \left({1 \over r^2} {\partial \over \partial r} \left( r^2 {\partial \over \partial r} \right) + {1 \over r^2 \sin \varphi} {\partial \over \partial \varphi} \left( \sin \varphi {\partial \over \partial \varphi} \right) + {1 \over r^2 \sin^2 \varphi} {\partial^2 \over \partial \theta^2}\right)+V(r)\right)e^{-\alpha r} r^2 \sin(\theta) \,dr\,d\theta\,d\varphi <br />

Essentially my question boils down to this: Can I neglect the second two terms of \nabla^2 that are nonzero when I convert to spherical coords?

P.S. Sorry if my LaTeX sucks, I just taught myself how to do it for this post.
 
Last edited:
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Added LaTeX to make it easier to follow what I'm getting at.

Hope that helps.
 
Last edited:

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