Integration of Spherical Harmonics with a Gaussian (QM)

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SUMMARY

The discussion focuses on solving the integral $$b_{lm}(k)$$ related to the integration of Spherical Harmonics with a Gaussian in quantum mechanics. The integral is derived from the decomposition of a Gaussian into the eigenfunctions of the Hydrogen atom, specifically using the scalar product to obtain expansion coefficients. The user faces challenges when the initial conditions require non-zero values for certain variables, necessitating a transformation into spherical polar coordinates. The supervisor suggests exploring forms of Spherical Harmonics that are not defined at the origin to facilitate the solution.

PREREQUISITES
  • Understanding of quantum mechanics and wave functions
  • Familiarity with Spherical Harmonics and their properties
  • Knowledge of Gaussian integrals and their applications
  • Proficiency in spherical polar coordinates and transformations
NEXT STEPS
  • Research the properties of Spherical Harmonics not defined at the origin
  • Study Gaussian integrals in quantum mechanics, particularly in relation to wave functions
  • Learn about the application of spherical polar coordinates in quantum mechanical problems
  • Examine the work of Morse and Feshbach on related integrals and transformations
USEFUL FOR

Quantum mechanics students, physicists working on wave function analysis, and researchers exploring advanced integral techniques in quantum theory.

Dazzabaijan
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Homework Statement


I wish to solve this integral $$b_{lm}(k) = \frac{1}{2(\hbar)^{9/4}(2\pi)^{5/2}\sqrt{\sigma_{px} \sigma_{py} \sigma_{pz}}} \int_{\theta_k = 0}^{\pi}\int_{\varphi_k = 0}^{2\pi} i^l \text{exp}\left[ - \frac{1}{(2\hbar)^2}\left(\frac{(k_z - k_{z0})^2}{\sigma_{pz}^2} + \frac{(k_y - k_{y0})^2}{\sigma_{py}^2} + \frac{(k_x - k_{x0})^2}{\sigma_{px}^2}\right)\right]Y^m_l(\theta_k, \varphi_k) \sin\theta_k d\phi_k d\theta_k$$

which I've obtained from decomposition of a Gaussian into the eigenfunctions of Hydrogen atom.
$$\psi(\textbf{r},0) = \sum_{n=1}^{\infty}\sum_{l=0}^{n-1}\sum_{m=-l}^{l} b_{\textit{nlm}}\varphi_\textit{nlm}(\textbf{r})$$
by performing the scalar product to obtain the expansion coefficient, as such.
$$\begin{equation*}
\begin{split}
\langle\varphi_\textit{nlm}(\textbf{r})|\psi(\textbf{r},0)\rangle &= \langle\varphi_\textit{nlm}(\textbf{r})|\sum_{n=1}^{\infty}\sum_{l=0}^{n-1}\sum_{m=-l}^{l} b_{\textit{nlm}}\varphi_\textit{nlm}(\textbf{r})\rangle\\
&= b_{\textit{nlm}}\sum_{n=1}^{\infty}\sum_{l=0}^{n-1}\sum_{m=-l}^{l}\langle\varphi_\textit{n'l'm'}(\textbf{r})| \varphi_\textit{nlm}(\textbf{r})\rangle\\
&= b_{\textit{nlm}}\sum_{n=1}^{\infty}\sum_{l=0}^{n-1}\sum_{m=-l}^{l}\delta_{n'n}\delta_{l'l}\delta_{m'm}\\
&= b_{nlm}
\end{split}
\end{equation*}$$
Now using two different way of expressing the Gaussian
##\psi(\textbf{r},0)## allowed me to end up with 2 different terms of #b_{nlm}# which I was able to compare.
$$b_{nlm} = \frac{2}{\pi}\int^{\infty}_{k=0}\int^{\infty}_{r=0} R^*_{nl}(\textbf{r}) b_{lm}(k) j_l(kr) r^2 k^2 dr dk <=> N \int^{\pi}_{\theta_k=0}\int^{2\pi}_{\varphi_k=0}\int^{\infty}_{k=0}\int^{\infty} _{r=0} R^*_{nl}(\textbf{r}) i^l j_l(kr) \eta(\textbf{k}-\textbf{k}_0)Y^m_l(\theta_k, \varphi_k) r^2 k^2 \sin\theta_k dr dk d\varphi_k d\theta_k$$

Homework Equations

The Attempt at a Solution


Now I thought if I set the initial conditions ##k_{x0} = k_{y0} = k_{z_0} = 0## and set all the ##\sigma_{pz} = \sigma_{py} = \sigma_{pz} = \sigma## we see that the integral in the beginning $$b_{lm}(k) = \frac{1}{2(\hbar)^{9/4}(2\pi)^{5/2}\sqrt{\sigma_{px} \sigma_{py} \sigma_{pz}}} \int_{\theta_k = 0}^{\pi}\int_{\varphi_k = 0}^{2\pi} i^l \text{exp}\left[ - \frac{|\textbf{k}|^2}{(2\sigma\hbar)^2}\right]Y^m_l(\theta_k, \varphi_k) \sin\theta_k d\phi_k d\theta_k$$
Now that means I'll be able to move the Gaussian out of the integral
$$b_{lm}(k) = \frac{1}{2(\hbar)^{9/4}(2\pi)^{5/2}\sqrt{\sigma_{px} \sigma_{py} \sigma_{pz}}} \text{exp}\left[ - \frac{k^2}{(2\sigma\hbar)^2}\right]\int_{\theta_k = 0}^{\pi}\int_{\varphi_k = 0}^{2\pi} i^l Y^m_l(\theta_k, \varphi_k) \sin\theta_k d\phi_k d\theta_k$$
and then I can perform the rest of the integral and all is fine. But the problem is my project requires for me such that ##k_{y0} \neq 0## and ##k_{x0} = k_{z0} = 0##
And for that to happen I'll have to change my Gaussian into spherical polar coordinate using
$$k_x = k\cos\theta_k\sin\varphi_k$$
$$k_y = k\sin\theta_k\sin\varphi_k$$
$$k_z = k\cos\varphi$$
$$k^2 = k_x^2 + k_y^2 + k_z^2$$
which makes the previous manoeuvre not possible. From what my supervisor said he told me to find a form of Spherical Harmonics that's not defined at the origin? So I'm assuming that there's a form of Spherical Harmonics which I could start at a coordinates same as the Gaussian then I should be able to solve the integral.
 
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Check Morse and Feshbach, I think they do something along the line of what you want to do. The other thing, if you pull the exponential out of your integral, the integral is non-zero for l = m = 0 only.
 

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