Description
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.
More information
- Homepage: https://www.psicode.org/
Available Versions of PSI4
Version | Module | Available on |
|---|---|---|
1.7-foss-2021b | chem/PSI4/1.7-foss-2021b | Noctua 2 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
Usage Hints for PSI4
If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.