PSI3

The PSI3 suite of quantum chemical programs is designed for efficient, high-accuracy calculations of properties of small to medium-sized molecules. The package’s current capabilities include a variety of Hartree-Fock, coupled cluster, complete-active-space self-consistent-field, and multi-reference configuration interaction models.
Find PSI3 at: http://www.psicode.org

Rating: 4.1. From 53 votes.
Please wait...
Share
This entry was posted in Ab Initio Quantum Chemistry. Bookmark the permalink.

Leave a Reply

Your email address will not be published. Required fields are marked *