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## Examples For Excited-state Calculations
input and output for a CIS calculation input and output for a CIS(D) calculation input and output for a EOM-CC2/CC2-LR calculation input and output for a EOM-CCSD(2) calculation input and output for a EOM-CCSD/CCSD-LR calculation input and output for a EOM-CC3/CC3-LR calculation input and output for a EOM-CCSDT-3/CCSDT-3-LR calculation input and output for a EOM-CCSD/CCSD-LR calculations involving triplet excited states input
and
output
for a EOM-CCSD/CCSD-LR calculation for an open-shell molecule
input
and
output
for a EOM-CCSD/CCSD-LR calculation
input and output for a CIS geometry optimization input and output for a CIS(D) geometry optimization input and output for a EOM-CC2/CC2-LR geometry optimization input
and
output
for a EOM-CCSD/CCSD-LR geometry optimization
input and output for a EOM-CCSD/CCSD-LR harmonic frequency calculation |

Page last modified on January 07, 2023, at 02:36 PM

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