INTRO

Niedoida is a general-purpose quantum-chemical package, currently in pupal state. We plan to implement typical quantum-chemical calculations like

  • Hartree-Fock (and post-HF methods) in gaussian basis sets
  • DFT in gaussian basis sets
  • Perhaps DFT in slater-type basis sets

and other (eg microelectrostatic).

Authors can be reached at niedoida@chemia.uj.edu.pl

$LastChangedDate: 2005-08-12 14:33:14 +0200 (Fri, 12 Aug 2005) $

BJ-C & JJ (c) 2005