C.3 $rem Variable List

C.3.9 Excited States: EOM-CC and CI Methods

(May 16, 2021)

Those are keywords relevant to EOM-CC and CI methods handled by CCMAN/CCMAN2. Most of these $rem variables that start CC_ and EOM_.

EOM_DAVIDSON_CONVERGENCE EOM_DAVIDSON_MAXVECTORS
EOM_DAVIDSON_THRESHOLD EOM_DAVIDSON_MAX_ITER
EOM_NGUESS_DOUBLES EOM_NGUESS_SINGLES
EOM_DOEXDIAG EOM_PRECONV_DOUBLES
EOM_PRECONV_SINGLES EOM_PRECONV_SD
EOM_IPEA_FILTER EOM_FAKE_IPEA
CC_REST_AMPL CC_REST_TRIPLES
CC_EOM_PROP CC_TRANS_PROP
CC_STATE_TO_OPT CC_EOM_PROP
CC_EOM_PROP_TE CC_FULLRESPONSE