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- COLUMBUS abstract "COLUMBUS is 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. Besides standard classes of reference wave functions such as CAS and RAS, calculations can be performed with selected configurations. It makes use of the atomic orbital integrals and gradient routines from the DALTON program. The program is available free of charge under license (including the DALTON license).COLUMBUS is frequently used for nonadiabatic problems because of its ability to calculate MRCI nonadiabatic coupling vector analytically.".
- COLUMBUS wikiPageExternalLink columbus.
- COLUMBUS wikiPageID "3718320".
- COLUMBUS wikiPageLength "3418".
- COLUMBUS wikiPageOutDegree "23".
- COLUMBUS wikiPageRevisionID "540200156".
- COLUMBUS wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- COLUMBUS wikiPageWikiLink Category:Computational_chemistry_software.
- COLUMBUS wikiPageWikiLink Columbus,_Ohio.
- COLUMBUS wikiPageWikiLink Complete_active_space.
- COLUMBUS wikiPageWikiLink Computational_chemistry.
- COLUMBUS wikiPageWikiLink Configuration_interaction.
- COLUMBUS wikiPageWikiLink Conical_intersection.
- COLUMBUS wikiPageWikiLink Dalton_(program).
- COLUMBUS wikiPageWikiLink Fortran.
- COLUMBUS wikiPageWikiLink Hartree–Fock_method.
- COLUMBUS wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- COLUMBUS wikiPageWikiLink Multi-configurational_self-consistent_field.
- COLUMBUS wikiPageWikiLink Multireference_configuration_interaction.
- COLUMBUS wikiPageWikiLink Ohio_State_University.
- COLUMBUS wikiPageWikiLink Perl.
- COLUMBUS wikiPageWikiLink MM.
- COLUMBUS wikiPageWikiLink Vibronic_coupling.
- COLUMBUS wikiPageWikiLinkText "COLUMBUS".
- COLUMBUS wikiPageWikiLinkText "Columbus".
- COLUMBUS wikiPageUsesTemplate Template:!.
- COLUMBUS wikiPageUsesTemplate Template:Other_uses.
- COLUMBUS wikiPageUsesTemplate Template:Physical-chemistry-stub.
- COLUMBUS wikiPageUsesTemplate Template:Reflist.
- COLUMBUS wikiPageUsesTemplate Template:Science-software-stub.
- COLUMBUS wikiPageUsesTemplate Template:Theoretical-chem-stub.
- COLUMBUS subject Category:Computational_chemistry_software.
- COLUMBUS hypernym Suite.
- COLUMBUS type Software.
- COLUMBUS comment "COLUMBUS is 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. Besides standard classes of reference wave functions such as CAS and RAS, calculations can be performed with selected configurations.".
- COLUMBUS label "COLUMBUS".
- COLUMBUS sameAs Q5013344.
- COLUMBUS sameAs m.09w_rs.
- COLUMBUS sameAs Q5013344.
- COLUMBUS wasDerivedFrom COLUMBUS?oldid=540200156.
- COLUMBUS isPrimaryTopicOf COLUMBUS.