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)
Recent Psi4 News
Psi4 contributor Daniel Smith has received the Chemical Computing Group Excellence Award for Graduate Students
Coupled Cluster Methods
Psi4 Code Updates
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.
Recent development of PSI has been supported in part by the U.S. National Science Foundation under Awards ACI-1449723, ACI-1450169, CHE-1300497, ACI-1147843, CHE-1011360, CHE-1058420.