Columbus
Department of Chemistry of the Ohio State University, I.Shavitt(OSU), H.Lischka (University of Vienna), R. Shepard (Argonne National Laboratory)
last change 24.02.2011 |
Math Admin | Print
Department of Chemistry of the Ohio State University, I.Shavitt(OSU), H.Lischka (University of Vienna), R. Shepard (Argonne National Laboratory)
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 is available, including
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MCSCF |
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MR-CISD (multi-reference configuration interaction with all single and double excitations) |
|
MR-ACPF (multi-reference averaged coupled-pair-functional) |
|
MR-AQCC (multi-reference average quadratic coupled-cluster) |
Information and Documentation
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Complete documentation |
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How to use Columbus |
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Columbus on WWW server at the University of Vienna |
last change 24.02.2011 |
Math Admin | Print