Question about a harmonic oscillator integral

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SUMMARY

The discussion centers on the application of the chain rule in calculus, specifically in the context of quantum physics and harmonic oscillators as presented in McQuarrie's Quantum Chemistry. The user, Heath, seeks clarification on the mathematical justification for the integral of force with respect to position, leading to the expression (d²x/dt²)(dx/dt) = (1/2)d((dx/dt)²)/dt. The resolution provided by Nick confirms that this relationship is indeed a direct application of the chain rule, a fundamental concept in calculus.

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Heath Watts
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Hi,
I'm trying to learn quantum physics (chemistry) on my own so that my work with Gaussian and Q-Chem for electronic structural modeling is less of a black box for me. I've reached the harmonic oscillator point in McQuarrie's Quantum Chemistry book and I'm having trouble justifying a step in his math. It's the integral of force with respect to x.

Integrate[m*(d2x/dt2), dx]
This says integrate the second derivative of time with respect to t for the integration variable x.

Changing the variable of integration to time gives:

Integrate[m*(d2x/dt2)*(dt/dt), dx]
or
Integrate[m*(d2x/dt2)*(dx/dt), dt]

Then something occurs here:
Integrate[m*(d(dx/dt)/dt)*(dx/dt), dt]

Integrate[(m/2)*d((dx/dt)*(dx/dt))/dt, dt]

Integrate[(m/2)*d((dx/dt)^2)/dt, dt]

What calculus rule have I forgotten that says that
(d2x/dt2)*(dx/dt)=(1/2)*d((dx/dt)^2)/dt

I can't seem to find it in any of my old textbooks or online. I hope that my notation is clear. I appreciate your help. If you can direct me to a website that explains this rule, I'd appreciate it.
Thanks,
Heath
 
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If you work backwards it's easy to see: it's just the chain rule!

[tex]\frac{d}{dt} \left(\frac{1}{2} \left( \frac{dx}{dt}\right)^2 \right) = 2 \times \left( \frac{1}{2} \frac{dx}{dt} \right) \times \frac{d}{dt} \frac{dx}{dt} = \frac{dx}{dt} \frac{d^2x}{dt^2}[/tex]

Substituting [itex]\frac{dx}{dt} = f(t)[/itex] maybe helps:
[tex]\frac{d}{dt} \left( \frac{1}{2} \left( f(t) \right)^2 \right) = 2 \times \left(\frac{1}{2} f(t) \right) \times \frac{df}{dt} = f(t) \frac{df}{dt}[/tex]

Or even easier in 'words':
The derivative of [itex]f^2[/itex] is [itex]2f \, f'[/itex]. Of course, we don't want the two, so we use 1/2 in front of the [itex]f^2[/itex] term (which doesn't change the differentiation process since it's a constant).It's a pretty common differentiation 'trick' .
 
Last edited:
Thanks very much Nick. The chain rule! How embarrassing. :blushing:
 

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