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COLUMBUS is a collection of programs for high-level ab initio molecular electronic structure calculations. The programs are designed primarily for extended multi-reference (MR) calculations on electronic ground and excited states of atoms and molecules. A variety of methods, including

  • MR-CISD (multi-reference configuration interaction with all single and
  • double excitations),
  • MR-ACPF (multi-reference averaged coupled-pair-functional) and
  • MR-AQCC (multi-reference average quadratic coupled-cluster)
are available. An important feature of COLUMBUS is its flexibility. In addition to standard classes of reference wave functions, such as CAS or RAS, calculations can performed with selected reference configurations. Though the multi-reference aspect of COLUMBUS is emphasized, single-reference calculations can also be carried out very efficiently.

Current Version:   5.4

License Type:   Free, registration required

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Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

IBM/RS6000, SGI IRIX, DEC Alpha, Linux PCs, CRAY T3E, HP 9000, SUN Solaris

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