PSI4 

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

Version

Module

Available on

1.9-foss-2022a

chem/PSI4/1.9-foss-2022a

Noctua 2

1.9.1-foss-2022a

chem/PSI4/1.9.1-foss-2022a

Noctua 2

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.