ORCA
Description
ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects.
More information
Homepage: https://orcaforum.kofo.mpg.de
Availability
Module |
Generic |
E5 |
Lake |
Epyc |
Cascade |
|---|---|---|---|---|---|
✓ |
|||||
✓ |
|||||
✓ |