How to simplify the diatomic molecule Hamiltonian using an expansion?

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SUMMARY

The forum discussion focuses on simplifying the diatomic molecule Hamiltonian using a specific expansion technique. The Hamiltonian is given by $$-\hbar^2/(2\mu)d^2/dr^2+\hbar^2\ell(\ell+1)/(2\mu r^2)+(1/4)K(r-d_0)^2$$. Participants discuss substituting parameters such as $$K\equiv 2\mu \omega_0^2$$ and expanding to second order in $$\rho$$ while neglecting terms of order $$\gamma_{\ell}^2$$ due to the condition $$\gamma_{\ell}\ll 1$$. The goal is to manipulate the potential energy expression into a form resembling that of a one-dimensional simple harmonic oscillator.

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Homework Statement


I have the diatomic molecule hamiltonian given by:
$$-\hbar^2/(2\mu)d^2/dr^2+\hbar^2\ell(\ell+1)/(2\mu r^2)+(1/4)K(r-d_0)^2$$

Now it's written in my solutions that if we put:
$$K\equiv 2\mu \omega_0^2, \hbar^2\ell(\ell+1)/(2\mu d_0^4)\equiv \gamma_{\ell} K, r-d_0\equiv \rho$$

Expand to second order in ##\rho## and drop terms in ##\gamma_{\ell}^2## since ##\gamma_{\ell}\ll 1##, to get:
$$-\hbar^2/(2\mu)d^2/dr^2+(1/2)\mu \omega_0^2[(1+12\gamma_{\ell})(\rho - 4\gamma_{\ell}d_0)^2+4\gamma_{\ell}d_0^2]$$

How to get the last expression explicitly?

Homework Equations

The Attempt at a Solution


I thought of expanding ##1/(\rho+d_0)^2 \approx 1/(d_0^2)[1-2\rho/d_0+3\rho^2/d_0^2]##
But I don't see how did they get this expression for the Hamiltonian?
edit: I have edited and corrected the typo.
 
Last edited:
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MathematicalPhysicist said:
Expand to second order in ##\rho## and drop terms in ##\gamma_{\ell}$ since $\gamma_{\ell}\ll 1##, to get:
Due to the typo, we can't tell what order of approximation in ##\gamma_{\ell}## is to be made.

I thought of expanding ##1/(\rho+d_0)^2 \approx 1/(d_0^2)[1-2\rho/d_0+3\rho^2/d_0^2]##
Sounds good.
But I don't see how did they get this expression for the Hamiltonian?
The only thing that is required is for their way of writing H to agree with your way of writing H to the assumed orders of approximation in ##\rho## and ##\gamma_{\ell}##. They are probably choosing to write H in a particular way in order to simplify further analysis.
 
TSny said:
Due to the typo, we can't tell what order of approximation in ##\gamma_{\ell}## is to be made.

Sounds good.
The only thing that is required is for their way of writing H to agree with your way of writing H to the assumed orders of approximation in ##\rho## and ##\gamma_{\ell}##. They are probably choosing to write H in a particular way in order to simplify further analysis.
I corrected the typo, we should drop terms of order ##\gamma_{\ell}^2## since ##\gamma_{\ell}\ll 1##.
 
MathematicalPhysicist said:
I corrected the typo, we should drop terms of order ##\gamma_{\ell}^2## since ##\gamma_{\ell}\ll 1##.
OK.

You are on the right track to use your expansion ##1/(\rho+d_0)^2 \approx 1/(d_0^2)[1-2\rho/d_0+3\rho^2/d_0^2]## in the expression

##V(r) \doteq \hbar^2\ell(\ell+1)/(2\mu r^2)+(1/4)K(r-d_0)^2##

Then you can manipulate your expression for ##V(r)## into their corresponding expression. (Keep in mind that any terms of order ##\gamma_{\ell}^2## may be neglected.) The motivation for doing all this is that, in their expression, the potential energy part of ##H## is just that of a 1D simple harmonic oscillator.
 

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