The phrase "excimer calculations" covers a great deal of ground
to do with a variety of different possible combinations of methods.
Which excimer? Did you do it UHF or RHF, CI or MCSCF? Which
Hamiltomian? What spin state did you specify? What do you mean by
"do not seem to give satisfactory results for the problem"? What
information did you expect from the calculation? These sorts of silly
little questions will help us tell exactly waht you need. You
conclusion that ARGUS and MOPAC5 do not work is like saying "White paint
doesn't work." No context, no good answers.
DR. ANDREW HOLDER
Assistant Professor of Computational/Organic Chemistry
Department of Chemistry || BITNET Addr: AHOLDER(-(at)-)UMKCVAX1
University of Missouri - Kansas City || Internet Addr:
Spencer Chemistry, Room 315 || Phone Number: (816) 235-2293
Kansas City, Missouri 64110 || FAX Number: (816) 235-1717