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)
