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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
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.
- 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)
Current Version: 5.4
License Type: Free, registration required
Source Code Availability: Yes
Available Binary Packages:
- Debian Package: No
- RedHat RPM Package: No
- Other Packages: No
IBM/RS6000, SGI IRIX, DEC Alpha, Linux PCs, CRAY T3E, HP 9000, SUN Solaris
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