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
CFOUR is partially supported by the U.S. National Science Foundation.