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).

 

BJ-C & JJ (c) 2005