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Table A.4
Level energies and TEC as used in the final AUTOSTRUCTURE calculation for Cr III.
| Configuration | Term | J | Energy (cm-1) | Energy (cm-1) | TEC (cm-1) |
| expa | AUTOS this work | ||||
|
|
|||||
| 3d4 | 5D | 0 | 0.00 | 0.00 | |
| 1 | 61.76 | 72.10 | |||
| 2 | 182.44 | 212.23 | |||
| 3 | 356.00 | 413.38 | |||
| 4 | 575.73 | 667.53 | |||
| 3d4 | 3P2 | 0 | 16 770.26 | 21 192.58 | –4915.57 |
| 1 | 17 167.54 | 21 662.36 | |||
| 2 | 17 850.13 | 22 471.78 | |||
| 3d4 | 3H | 4 | 17 272.67 | 20 687.35 | –3777.27 |
| 5 | 17 395.84 | 20 820.46 | |||
| 6 | 17 529.68 | 20 965.53 | |||
| 3d4 | 3F2 | 2 | 18 451.06 | 22 668.10 | –4562.99 |
| 3 | 18 510.09 | 22 715.40 | |||
| 4 | 18 582.39 | 22 781.68 | |||
| 3d4 | 3G | 3 | 20 702.45 | 24 870.64 | –4539.61 |
| 4 | 20 851.87 | 25 036.46 | |||
| 5 | 20 995.16 | 25 180.98 | |||
| 3d4 | 1G2 | 4 | 25 137.91 | 30 614.62 | –5849.22 |
| 3d4 | 3D | 3 | 25 725.24 | 30 942.41 | –5587.49 |
| 2 | 25 779.72 | 31 020.76 | |||
| 1 | 25 847.28 | 31 103.39 | |||
| 3d4 | 1I | 6 | 26 014.10 | 31 029.76 | –5375.59 |
| 3d4 | 1S2 | 0 | 27 371.30 | 33 703.73 | –6697.38 |
| 3d4 | 1D2 | 2 | 32 150.53 | 39 577.20 | –7791.24 |
| 3d4 | 1F | 3 | 37 004.38 | 44 667.58 | –8017.08 |
| 3d4 | 3F 1 | 4 | 43 285.81 | 52 959.22 | –10 056.77 |
| 2 | 43 303.26 | 53 021.44 | |||
| 3 | 43 321.22 | 53 023.09 | |||
| 3d4 | 3P1 | 2 | 43 440.85 | 53 197.24 | –10 169.68 |
| 1 | 43 915.56 | 53 778.08 | |||
| 0 | 44 140.06 | 54 054.51 | |||
| 3d3(4F)4s | 5F | 1 | 49 491.59 | 47 953.66 | 1164.64 |
| 2 | 49 627.27 | 48 093.91 | |||
| 3 | 49 828.04 | 48 301.53 | |||
| 4 | 50 090.28 | 48 573.13 | |||
| 5 | 50 409.28 | 48 903.99 | |||
| 3d4 | 1G1 | 4 | 49 767.47 | 60 658.94 | –11 253.34 |
| 3d3(4F)4s | 3F | 2 | 56 650.51 | 56 473.01 | –183.70 |
| 3 | 56 992.24 | 56 820.55 | |||
| 4 | 57 422.53 | 57 260.48 | |||
| 3d3(4P)4s | 5P | 1 | 63 044.61 | 63 794.02 | –1103.74 |
| 2 | 63 173.17 | 63 925.05 | |||
| 3 | 63 420.87 | 64 170.86 | |||
| 3d4 | 1D1 | 2 | 65 762.08 | 79 930.56 | –14 372.18 |
| 3d3(2G)4s | 3G | 3 | 65 891.35 | 67 025.35 | –1499.78 |
| 4 | 66 028.88 | 67 171.85 | |||
| 5 | 66 224.05 | 67 374.97 | |||
| 3d3(4P)4s | 3P | 0 | 69 600.40 | 71 852.36 | –2565.55 |
| 1 | 69 780.80 | 72 045.17 | |||
| 2 | 70 291.77 | 72 414.33 | |||
| 3d3(2G)4s | 1G | 4 | 69 658.70 | 71 443.26 | –2139.88 |
| 3d3(2P)4s | 3P | 2 | 70 189.89 | 72 689.00 | –2714.90 |
| 1 | 70 344.55 | 72 680.44 | |||
| 0 | 70 485.87 | 72 797.09 | |||
| 3d3(2D2)4s | 3D | 1 | 70 980.15 | 73 670.82 | –3080.44 |
| 3 | 71 321.98 | 74 026.92 | |||
| 2 | 71 322.09 | 73 991.69 | |||
| 3d3(2H)4s | 3H | 4 | 71 676.22 | 73 529.26 | –2219.33 |
| 5 | 71 736.45 | 73 594.55 | |||
| 6 | 71 869.19 | 73 734.03 | |||
| 3d3(2P)4s | 1P | 1 | 73 880.42 | 77 033.83 | –3537.93 |
| 3d3(2D2)4s | 1D | 2 | 74 787.89 | 78 006.10 | –3721.63 |
| 3d3(2H)4s | 1H | 5 | 75 350.49 | 77 850.82 | –2860.30 |
| 3d3(2F)4s | 3F | 4 | 84 372.87 | 88 718.77 | –4706.52 |
| 3 | 84 483.43 | 88 830.70 | |||
| 2 | 84 571.41 | 88 919.37 | |||
| 3d3(2F)4s | 1F | 3 | 87 769.57 | 92 899.43 | –5490.82 |
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