Orca¶

Description¶

ORCA is an ab initio quantum chemistry program package for modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA is developed in the research group of Frank Neese.

Environment Modules¶

Run module spider orca to find out what environment modules are available for this application.

Environment Variables¶

Categories¶

chemistry