QC_MODULE=MRCC

name

calls method in Kallay’s MRCC program [manual]

ccsd

CC through doubles [details]

ccsdt

CC through triples

ccsdtq

CC through quadruples

ccsdtqp

CC through quintuples

ccsdtqph

CC through sextuples

ccsd(t)

CC through doubles with perturbative triples [details]

ccsdt(q)

CC through triples with perturbative quadruples

ccsdtq(p)

CC through quadruples with pertubative quintuples

ccsdtqp(h)

CC through quintuples with pertubative sextuples

ccsd(t)_l

CC through doubles with asymmetric perturbative triples [details]

ccsdt(q)_l

CC through triples with asymmetric perturbative quadruples

ccsdtq(p)_l

CC through quadruples with asymmetric perturbative quintuples

ccsdtqp(h)_l

CC through quintuples with asymmetric perturbative sextuples

ccsdt-1a

CC through doubles with iterative triples (cheapest terms)

ccsdtq-1a

CC through triples with iterative quadruples (cheapest terms)

ccsdtqp-1a

CC through quadruples with iterative quintuples (cheapest terms)

ccsdtqph-1a

CC through quintuples with iterative sextuples (cheapest terms)

ccsdt-1b

CC through doubles with iterative triples (cheaper terms)

ccsdtq-1b

CC through triples with iterative quadruples (cheaper terms)

ccsdtqp-1b

CC through quadruples with iterative quintuples (cheaper terms)

ccsdtqph-1b

CC through quintuples with iterative sextuples (cheaper terms)

cc2

approximate CC through doubles [details]

cc3

approximate CC through triples [details]

cc4

approximate CC through quadruples

cc5

approximate CC through quintuples

cc6

approximate CC through sextuples

ccsdt-3

CC through doubles with iterative triples (all but the most expensive terms)

ccsdtq-3

CC through triples with iterative quadruples (all but the most expensive terms)

ccsdtqp-3

CC through quadruples with iterative quintuples (all but the most expensive terms)

ccsdtqph-3

CC through quintuples with iterative sextuples (all but the most expensive terms)