[CHM 331] questions

[Andrew J. Pounds]

On 10/07/12 21:18,  wrote:
> Dr. Pounds,
>
> I have a couple of questions.
>
> 1) For the solution you gave us in class on Friday for the variational 
> method it looks like you only took the first derivative, not the 
> second derivative like is shown in the operator. Why?
>

In the handout I gave you I used the Mathematica notation D[psi,x,x] 
which means take the second derivative with respect to x.

> 2) For your problem #1 on the last homework set (HW #3) you said that 
> the probabilities should be increasing and not decreasing like my 
> calculations showed, but I still do not know what I did wrong. Do you 
> not just use the equation p(r)=r^2R(r)^2? Do you remember if it was my 
> calculations that were wrong or if it was mu method that was wrong?'
>
You have to integrate Psi(r,theta,phi) Psi(r,theta,phi) over the 
required r limits of integration.

> 3) When graphing the probabilities for the Harmonic Oscillator plots 
> in HW #2 should we just graph the wavefunction squared?
>
Yes.

> 4) For the symmetry capsule, it says that we should have an individual 
> molecule to determine the symmetry for. Is that online yet?
>
>
Don't worry about the symmetry capsule right now.

-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627

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