Skip to content

COLUMBUS

A multireference electronic-structure suite offering MCSCF, MR-CISD, MR-ACPF and MR-AQCC, with gradients and selected nonadiabatic couplings.

Where it fits

Bond breaking, electronic excited states and conical-intersection studies.

Limits and practical considerations

Reference configurations and active spaces need physical justification; large CI expansions can be costly.

Licensing and access

Open source under LGPL; official source and binary releases are provided through GitLab.

Official documentation and project

Official documentation and sources

Back to the directory · HPC guides