Molcas 7

SCF/DFT, CASSCF/RASSCF, CASPT2/RASPT2
Fast, accurate, and robust code
Free support and updates
Source code and tools for development

Conference "Electronic Structure Theory for Strongly Correlated Systems", Palermo, 30/05-1/06 2012

26/01/2011: Molcas 7.6 is available!
If you have a valid licence for Molcas 7, send email to molcas@teokem.lu.se to obtain a password to download Molcas 7.6.