A preview of the PSI4 code and its capabilities has been published online in Wiley Interdisciplinary Reviews: Computational Molecular Science. (DOI: 10.1002/wcms.93)
Updated Public Beta Now Available July 3, 2013Note to previous users: Update any mention of PsiMod to psi4 in .psi4rc or input files
Coupled Cluster Methods
PSI4 GitHub Feed
What is PSI4?
PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.
The development of PSI has been supported in part by the U.S. National Science Foundation under Awards CHE-1011360, CHE-1058420, CHE-0094088, CHE-0946869 and the U.S. Department of Energy under lab-directed research and development grants from Oak Ridge National Laboratory and Sandia National Laboratories.