Columbus

Columbus

The COLUMBUS PROGRAMS are a computational chemistry software suite for calculating ab initio molecular electronic structures, designed as a collection of individual programs communicating through files. The programs focus on extended multi-reference calculations of atomic and molecular ground and excited states. In addition to standard classes of reference wave functions such as CAS and RAS, calculations can be performed with selected configurations. Some features employ the atomic orbital integrals and gradient routines from the Dalton program suite. COLUMBUS is available free of charge under license. The COLUMBUS PROGRAMS are frequently used for nonadiabatic problems because of its ability to calculate MRCI nonadiabatic coupling vector analytically.

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