Molcas 7


  • SCF/DFT, RASSCF, CASPT2, CC methods
  • Solvent models, QM/MM interface
  • Fast, accurate, and robust code
  • Free support and updates
  • Source code and tools for development


Molcas 7.4 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 7.4.


Lecure notes from the 5th Molcas workshop are available on-line.