This is a page of links and info for the computational Physics Group's first steps into GAMESS. AIM of subproject - electron densities of samples generated by Amihai for project with Rafi Kalish. 8/4/10 - Joan and Jeremie started with a call to Amihai. We are looking at http://www.msg.ameslab.gov/GAMESS/capabilities.html. To draw images of the electronic density for sp2 and sp3 bonds Jeremie says we need to DFT gradient.We want to do the same as
where the left hand side are Joey Fox's AViz images from the analytic solution and the Right hand side are Joan's sketches.
A good start would be to reproduce Or Cohen's hydrogen molecule results, see
http://phelafel.technion.ac.il/~orcohen/DFTVisualize.html and the image
and we want to install some version of GAMESS on phjoan11/phnano1. [NEXT]