Subject: CCL: Looking for quantum chemistry problems

From: [email-masked] (Dario Bressanini)
Date: Wed, 9 Oct 1996 09:04:02 +0100

Hi fellow net-chemists

I am compiling a list of "interesting, old-and-new" problems in
computational chemistry for "not too big systems", to put on a web site.
Please, send your favourite problem, with the necessary pointers to the
literature, and a brief description.
eligible in the list would be, for example:
1) The He-He system. Is it bound ? what are the experimental findings ?
    what about the computational point of view? (by the way, it IS bound)
2) the H2+H potential surface. How to compute it with the best accuracy?
3) Cr2: how to treat it?

Even problems that were considered difficult in the past but now are solved
are eligible
Just send what you consider "an interesting problem"
The "not too big systems" requirement means that "compute the structure
of a 1000-atoms protein from basic princibles" is not eligible.

Many thanks in advance. When the Web site is completed, i will post the URL.

Dario Bressanini   [email-masked]