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MRCC Calculations

input and output for Mk-MRCCSD calculation using RHF orbitals
input and output for Mk-MRCCSD calculation using TCSCF orbitals
input and output for Mk-MRCCSD calculation for an open-shell singlet state using ROHF orbitals
input and output for Mk-MRCCSD calculation with a complete 2x2 CAS as reference using TCSCF orbitals
input and output for frozen-core Mk-MRCCSD calculation using TCSCF orbitals
input and output for Mk-MRCCSDT calculation using TCSCF orbitals
input and output for geometry optimization at the Mk-MRCCSD level of theory using TCSCF orbitals

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Page last modified on December 01, 2010, at 11:23 AM
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CFOUR is partially supported by the U.S. National Science Foundation.