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MOLCAS manual:

Next: 6.16 ALASKA and SLAPAF: Up: 6. Program Based Tutorials Previous: 6.14 CCSDT

6.15 Other Multiconfigurational and Multireference Methods

MOLCAS contains computational modules to perform
  • Coupled Cluster calculations: CCSD, CCSD(T), etc. (CCSDT and CHCC)
  • Multireference singles and doubles Configuration Interaction calculations ( mrci )
  • SDCI - single and double Configuration Interaction calculations (SDCI)
  • CASVB/MCSCF Valence Bond calculations (CASVB)

The Users Guide and Tutorials should be consulted for relevant keywords to be used in these modules.


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Next: 6.16 ALASKA and SLAPAF: Up: 6. Program Based Tutorials Previous: 6.14 CCSDT