Re: Hydrogen atom modelling for P-Chem
- To: mathgroup at smc.vnet.net
- Subject: [mg22806] Re: Hydrogen atom modelling for P-Chem
- From: loki at midway.uchicago.edu (david raoul derbes)
- Date: Fri, 31 Mar 2000 01:01:10 -0500 (EST)
- Organization: The University of Chicago
- References: <8aej99$39u@smc.vnet.net> <8an1e2$1rd@smc.vnet.net>
- Sender: owner-wri-mathgroup at wolfram.com
In article <8an1e2$1rd at smc.vnet.net>, David Reiss <dreiss at NOSPAMscientificarts.com> wrote: >In article <8aej99$39u at smc.vnet.net>, DRL <l88vette at primenet.com> wrote: > >> I am currently taking Physical Chemistry/Quantum Mechanics at Austin >> College in Sherman, TX. We are studying the Schrodinger Wave Equation >> and its applications to modeling of the hydrogen atom. A search of the >> Mathematica table of contents didn't turn up any match and I was curious >> if anyone else had used Mathematica for some specific applications >> related to the hydrogen atom. >> >> Thanx, >> Brett > >Take a look at > >http://www.scientificarts.com/wavefunctions/hwavefunctions.html > >though I don't know whether this is the sort of thing >that you are looking for. > >Cheers, > >David If it is the graphs of the j, l, m probability distributions for a fixed n, that's pretty straightforward. It was the first thing I ever did in Mathematica, nearly ten years ago. You will want the graphs of the squares of the relevant spherical harmonics (actually, the azimuthal pieces go away; they are just exp(i m phi), and are lost in the absolute value squared.) I don't know v.4 well enough, but I'll bet that the Legendre polynomials are in there already, so what you need are abs(P(l, cos theta))^2. These are the standard graphs such as one finds in quantum mechanics books, e.g. R. Leighton, Principles of Modern Physics. David Derbes [loki at midway.uchicago.edu] > >-- >) Scientific Arts: http://www.scientificarts.com >) Creative Services and Consultation for the Applied >) and Pure Sciences:: David Reiss: dreiss at !SPAMscientificarts.com >) [Remove the !SPAM to send email] >