Subject: Summary of "About Mathematica"...

From: Reginaldo Cesar Rocha <[email-masked]>
Date: Tue, 25 Oct 1994 17:26:53 -0300 (BST)

Dear Netters,

	I asked 4 days ago about the use of the Mathematica in Quantum 
Mechanics. I summarize below the responses that I have received until 
the moment. Although I'm very grateful to everyone who replied, I'd 
like to receive more information about that.

>	I'm a chemistry student and I want to use the Mathematica for didactic
>purposes in Quantum Chemistry, particularly in 3D simulation, for example 
> in orbitals construction. I have the Mathematica version 2.0 on PC 486. I 
>know that there are some packages available. I'd like to know how to get them. I'd be very 
>grateful too if you could suggest some readings about this subject.
>
>
>	Thanks in advance,
>
>	Reginaldo.
>

   ----- End of the message -----

From David J. Heisterberg <[email-masked]>

Contact Wolfram Research.  There should be an email address in your
documentation, and they have a good idea of what's available.  There
may even be a usenet newsgroup for mathematica.

An interesting problem you can look at without any extra modules is
to consider what happens to the electron in the nuclear reaction
3H --> 3He.  There is some probability of ionization and you can get
close to the experimental value pretty easily.

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From: "Jose Luis Escobar" <[email-masked]>

Dear Reginaldo:

   Try the book 'Quantum Methods with Mathematica' by James M. Feagin (1994).

 Hope this helps.

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From: Harold Helson <[email-masked]>

Dear Reginaldo:

Your interests appear similar to what our program Chem3D provides: good, 
simple molecular modelling, and utility (costwise) for didactic purposes.    
This message isn't about buying the program, but an invitation to beta test it 
if you would like to.  You sound like a useful contact.

Beta testing involves downloading the software by ftp, running and evaluating 
it on your local system, and reporting to us the bugs and defects you find, as 
well as any changes or enhancements you think would be beneficial.  Also, you 
get to see the latest software! -- although we are serious about getting your 
comments.

Let me know if you are interested.

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From: Pisanty Baruch Alejandro-FQ <[email-masked]>

Excelentissimo senhor Rocha,

besides the info you already got and was posted, look at the Springer 
Verlag catalog, for a book by Feagin which does just what you seem to be 
asking for.

.  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .

From: "John West" <[email-masked]>

Dear Reginaldo,

	While I can not help you with your question, I am interested in 
seeing the response that you get from the CCL.  Would you summarize these
responses for the net?

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From: [email-masked] (Leboeuf Martin)

Try the following:

http://www.wri.com
[email-masked]  (send 1-line message: Send Help)

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From: [email-masked] (Carles Bo)

Dear colegue:

 I am also interested in the use of Mathematica for didactic purposes in Quantum Chemistry.
Could you send me a summary of responses ???

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From: Boyd <[email-masked]>

Volume 4 (1993) of "Reviews in Computational Chemistry" has examples of using
Mathematica and other PC/Mac programs for doing quantum chemistry.  If you send
me your postal address, I would be glad to send you more information.
D. B. Boyd

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From: [email-masked]

I remember seeing something on the internet. I'll try to find it and
send it to you. Could you please summarize.
Sincerely,

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	Thanks,

	Reginaldo.