Free Access

Table 3

Energy differences from the Ground State for the lowest 28 3d5 and 3d44s target states, and 9 other 3d44p target states, per model.

Config Term NIST M3 M6 M10 M14 M18

3d5 a 6S 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
3d44s a 6D 0.11188 0.19461 0.19573 0.15130 0.13832 0.13412
3d44s a 4D 0.18069 0.29052 0.28823 0.23600 0.22684 0.21765
3d5 a 4G 0.18695 0.24145 0.24146 0.22454 0.22413 0.22411
3d5 a 4P 0.19887 0.27726 0.27458 0.25166 0.25110 0.25091
3d5 b 4D 0.22818 0.32679 0.31932 0.28556 0.28334 0.28164
3d5 a 2I 0.27472 0.34477 0.34505 0.32549 0.32508 0.32506
3d44s a 4H 0.27597 0.37852 0.37740 0.34395 0.33182 0.32675
3d44s b 4P 0.27818 0.39836 0.39649 0.36569 0.35325 0.34818
3d44s a 4F 0.28398 0.39606 0.39397 0.35741 0.35155 0.34818
3d5 a 2D 0.28635 0.38825 0.38624 0.36119 0.36043 0.36022
3d5 a 2F 0.29581 0.39712 0.39441 0.36820 0.36758 0.36734
3d5 b 4F 0.29933 0.41406 0.41157 0.37495 0.36754 0.36569
3d44s b 4G 0.30608 0.42222 0.42095 0.38989 0.37759 0.37256
3d44s a 2H 0.31649 0.42303 0.42036 0.38803 0.38361 0.37729
3d44s a 2P 0.32007 0.46927 0.46158 0.41907 0.40793 0.39907
3d44s b 2F 0.32433 0.45327 0.45057 0.41062 0.40289 0.39663
3d5 b 2H 0.32499 0.45312 0.44606 0.40312 0.39630 0.39354
3d5 a 2G 0.32985 0.43201 0.43179 0.40151 0.39926 0.39792
3d44s c 4D 0.34915 0.48251 0.48122 0.45459 0.44202 0.43705
3d44s b 2G 0.35119 0.49298 0.48695 0.44749 0.43736 0.42963
3d44s c 2G 0.36234 0.50154 0.49630 0.46769 0.45683 0.45100
3d5 c 2F 0.36286 0.49383 0.48796 0.45377 0.44960 0.44691
3d44s b 2I 0.36646 0.48275 0.47953 0.45081 0.43941 0.43326
3d44s a 2S 0.36829 0.50230 0.50219 0.46988 0.46539 0.46353
3d44s b 2D 0.39124 0.54878 0.54145 0.50458 0.49584 0.48865
3d5 b 2S 0.40376 0.55972 0.55491 0.52859 0.51990 0.51547
3d44s c 2D 0.41650 0.55913 0.55435 0.52533 0.51533 0.50997

3d44p z 6 0.43155 0.50552 0.50605 0.44978 0.43885 0.43875
3d44p z 6 0.44227 0.52552 0.52550 0.45896 0.44723 0.44709
3d44p z 4 0.44938 0.54966 0.54375 0.47743 0.46628 0.46611
3d44p z 6 0.45226 0.53577 0.53492 0.47830 0.46839 0.46827
3d44p z 4 0.47194 0.58057 0.57774 0.50649 0.49764 0.49756
3d44p z 4 0.49795 0.63254 0.62112 0.54807 0.54084 0.54070
3d44p z 4 0.58165 0.66746 0.66707 0.62555 0.61374 0.61362
3d44p y 4 0.58774 0.69242 0.69028 0.64971 0.63837 0.63821
3d44p z 2 0.59259 0.71969 0.70651 0.66674 0.65616 0.65591

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.