On Mon, Aug 16, 2010 at 10:40 PM, Ondrej Certik <ond...@certik.cz> wrote:
> On Sat, Aug 14, 2010 at 5:09 PM, Øyvind Jensen <jensen.oyv...@gmail.com> 
> wrote:
>>
>>
>> On 13 Aug, 18:56, Ondrej Certik <ond...@certik.cz> wrote:
>>> On Fri, Aug 13, 2010 at 1:30 AM, Øyvind Jensen <jensen.oyv...@gmail.com> 
>>> wrote:
>>> > fr., 13.08.2010 kl. 01.17 -0700, skrev Ondrej Certik:
>>> >> On Fri, Aug 13, 2010 at 12:42 AM, Øyvind Jensen 
>>> >> <jensen.oyv...@gmail.com> wrote:
>>> >> > I implemented the radial wave functions for an isotropic harmonic
>>> >> > oscillator in the spirit of Ondrej's hydrogen solutions.  Tests are
>>> >> > missing, so it is not ready, but here it is anyway:
>>> >> >http://github.com/jegerjensen/sympy/compare/master...sho
>>>
>>> >> > I named the radial function 'R_nl', identical to the radial hydrogen
>>> >> > function, so that the user can use name spaces to get the solution
>>> >> > that is wanted:
>>>
>>> >> >>>> from sympy.physics.hydrogen import R_nl as psi_H
>>> >> >>>> from sympy.physics.sho import R_nl as psi_ho
>>>
>>> >> > Is this a good plan?
>>>
>>> >> That looks great to me. Also  you should put there the energies of the 
>>> >> system.
>>>
>>> > Yeah.  But the energy function would take arguments (n, l, hw), so for
>>> > consistency, maybe I should change R_nl to take one more argument:  (n,
>>> > l, hw, mass, r) instead of (n, l, nu, r)?
>>>
>>> I think I agree with Brian (see sympy-patches) that we should just use
>>> atomic units.
>>>
>>> So in this spirit, mass=1, h=1, so you only have "omega".
>>>
>>
>> I agree that we should go for dimensionless, but is it necessary to
>> specialize the vocabulary to atomic physics/chemistry?.  For hydrogen
>> a.u. are well suited, of course, but I thought harmonic oscillators
>> would usually be described in terms of 'hw'.  It is not so important,
>
> Well, yes, but I can imagine different harmonic oscillators depending
> on the strength. In atomic units, the only parameter is "w" (omega),
> so it makes sense to me to let the user specify "w". Which effectively
> your patch already does (by specifying nu= omega/2), so all is fine.
>
>> as it applies only to the vocabulary in the docstring, not to the
>> implementation. What do you think about the docstrings here:
>>
>> http://github.com/jegerjensen/sympy/blob/sho2/sympy/physics/sho.py
>>
>> I'll change them if that is decided, but imho to remove hbar and m
>> from the discussion is not an improvement.
>
> That patch looks good to me, +1 for now.
>
> Important is to get started, later on we can try to unify it more and
> integrate with the new QM stuff, as Brian said.

Yep.  I think this sounds good.

Cheers,

Brian

> Ondrej
>
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-- 
Brian E. Granger, Ph.D.
Assistant Professor of Physics
Cal Poly State University, San Luis Obispo
bgran...@calpoly.edu
elliso...@gmail.com

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