Lines Matching refs:Coupled
475 For the specification of the Coupled Cluster: see later.
674 | Starting in Coupled Cluster Section (CC) |
706 The Direct Coupled Cluster Energy Program
714 Iter. 1: Coupled cluster MP2 energy : -76.2307602936362514
715 Iter. 1: Coupled cluster CC2 energy : -76.2307527872824409
716 Iter. 2: Coupled cluster CC2 energy : -76.2315500934232517
717 Iter. 3: Coupled cluster CC2 energy : -76.2316174218143914
718 Iter. 4: Coupled cluster CC2 energy : -76.2316035572554966
719 Iter. 5: Coupled cluster CC2 energy : -76.2316046518230479
720 Iter. 6: Coupled cluster CC2 energy : -76.2316052615336019
721 Iter. 7: Coupled cluster CC2 energy : -76.2316052683936931
732 ! Final results from the Coupled Cluster energy program !
769 ! Coupled Cluster model is: CC2 !
816 ! Coupled Cluster model is: CC2 !
863 The Direct Coupled Cluster Energy Program
871 Iter. 1: Coupled cluster RSTAR energy : -76.2316052683936931
872 Iter. 1: Coupled cluster CC2 energy : -76.2314459320878797
873 Iter. 2: Coupled cluster CC2 energy : -76.2311761573242848
874 Iter. 3: Coupled cluster CC2 energy : -76.2311576670326758
875 Iter. 4: Coupled cluster CC2 energy : -76.2311627674161087
876 Iter. 5: Coupled cluster CC2 energy : -76.2311631275718327
877 Iter. 6: Coupled cluster CC2 energy : -76.2311628342270495
878 Iter. 7: Coupled cluster CC2 energy : -76.2311625890703652
879 Iter. 8: Coupled cluster CC2 energy : -76.2311625756996989
890 ! Final results from the Coupled Cluster energy program !
927 ! Coupled Cluster model is: CC2 !
976 ! Coupled Cluster model is: CC2 !
1023 The Direct Coupled Cluster Energy Program
1031 Iter. 1: Coupled cluster RSTAR energy : -76.2311625756996989
1032 Iter. 1: Coupled cluster CC2 energy : -76.2311468465165802
1033 Iter. 2: Coupled cluster CC2 energy : -76.2311246718000319
1034 Iter. 3: Coupled cluster CC2 energy : -76.2311230687331829
1035 Iter. 4: Coupled cluster CC2 energy : -76.2311233229437590
1036 Iter. 5: Coupled cluster CC2 energy : -76.2311233702937443
1047 ! Final results from the Coupled Cluster energy program !
1084 ! Coupled Cluster model is: CC2 !
1133 ! Coupled Cluster model is: CC2 !
1180 The Direct Coupled Cluster Energy Program
1188 Iter. 1: Coupled cluster RSTAR energy : -76.2311233702937443
1189 Iter. 1: Coupled cluster CC2 energy : -76.2311220042680588
1190 Iter. 2: Coupled cluster CC2 energy : -76.2311201077143608
1191 Iter. 3: Coupled cluster CC2 energy : -76.2311199669045436
1192 Iter. 4: Coupled cluster CC2 energy : -76.2311199848439998
1203 ! Final results from the Coupled Cluster energy program !
1240 ! Coupled Cluster model is: CC2 !
1289 ! Coupled Cluster model is: CC2 !
1336 The Direct Coupled Cluster Energy Program
1344 Iter. 1: Coupled cluster RSTAR energy : -76.2311199848439998
1345 Iter. 1: Coupled cluster CC2 energy : -76.2311198726238501
1346 Iter. 2: Coupled cluster CC2 energy : -76.2311197112262988
1347 Iter. 3: Coupled cluster CC2 energy : -76.2311196974773395
1358 ! Final results from the Coupled Cluster energy program !
1395 ! Coupled Cluster model is: CC2 !
1444 ! Coupled Cluster model is: CC2 !
1453 Coupled cluster solvent equations are converged in 4 solvent iterations
1899 | End of Coupled Cluster Section (CC) |