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Table 1
Ionization potentials of the 2s22p5 2P3/2, 2s22p5 2P1/2, and 2s2p6 2S1/2 states (in cm-1) in the considered F-like ions.
States | DHF | CCSD(T) Method | NIST | δ | |||
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Method | DC | DCB | DCBV | DCBVS | in (%) | ||
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Ti XIV | |||||||
2s22p5 2P3/2 | 6 369 056.70 | 6 351 716.78 | 6 349 138.38 | 6 349 080.30 | 6 353 771.99 | 6 353 000(300) | 0.02 |
2s22p5 2P1/2 | 6 416 796.01 | 6 400 283.25 | 6 396 275.76 | 6 396 217.45 | 6 401 015.63 | 6 400 219 | 0.02 |
2s2p6 2S1/2 | 7 202 770.06 | 7 172 838.82 | 7 170 443.09 | 7 170 520.17 | 7 175 709.00 | 7 172 772 | 0.04 |
V XV | |||||||
2s22p5 2P3/2 | 7 244 125.24 | 7 225 844.64 | 7 222 732.82 | 7 222 662.80 | 7 228 662.73 | 7 227 000(3000) | 0.03 |
2s22p5 2P1/2 | 7 302 886.28 | 7 285 571.67 | 7 280 781.04 | 7 280 710.72 | 7 286 875.34 | 7 285 093 | 0.03 |
2s2p6 2S1/2 | 8 136 150.98 | 8 105 203.30 | 8 102 337.72 | 8 102 431.88 | 8 109 027.13 | 8 104 732 | 0.05 |
Cr XVI | |||||||
2s22p5 2P3/2 | 8 174 508.35 | 8 155 080.76 | 8 151 368.12 | 8 151 284.42 | 8 158 857.81 | 8 159 300(4000) | 0.02 |
2s22p5 2P1/2 | 8 246 120.22 | 8 227 800.77 | 8 222 131.04 | 8 222 046.98 | 8 229 864.75 | 8 230 192 | 0.02 |
2s2p6 2S1/2 | 9 126 939.75 | 9 094 738.32 | 9 091 345.36 | 9 091 459.33 | 9 099 745.29 | 9 097 090 | 0.03 |
Mn XVII | |||||||
2s22p5 2P3/2 | 9 160 254.00 | 9 139 439.23 | 9 135 054.35 | 9 134 955.09 | 9 144 404.09 | 9 144 100(5000) | 0.02 |
2s22p5 2P1/2 | 9 246 744.55 | 9 227 179.30 | 9 220 528.71 | 9 220 429.03 | 9 230 229.32 | 9 229 600 | 0.02 |
2s2p6 2S1/2 | 10 375 395.14 | 10 341 671.95 | 10 337 690.69 | 10 337 827.51 | 10 348 129.25 | 10 344 100 | 0.04 |
Fe XVIII | |||||||
2s22p5 2P3/2 | 10 301 417.91 | 10 378 939.41 | 10 373 806.91 | 10 373 690.04 | 10 386 175.07 | 10 384 000(5000) | 0.02 |
2s22p5 2P1/2 | 10 305 025.68 | 10 383 932.25 | 10 376 193.15 | 10 376 075.78 | 10 389 052.54 | 10 386 579 | 0.02 |
2s2p6 2S1/2 | 11 381 797.98 | 11 346 249.19 | 11 341 615.25 | 11 341 778.28 | 11 355 019.25 | 11 348 702 | 0.06 |
Co XIX | |||||||
2s22p5 2P3/2 | 11 398 063.84 | 11 373 605.77 | 11 367 646.25 | 11 367 509.56 | 11 381 780.07 | 11 369 000(4000) | 0.10 |
2s22p5 2P1/2 | 11 321 250.52 | 11 398 301.05 | 11 389 359.83 | 11 389 222.56 | 11 304 168.53 | 11 390 960 | 0.10 |
2s2p6 2S1/2 | 12 346 447.88 | 12 308 728.46 | 12 303 374.00 | 12 303 566.93 | 12 319 058.12 | 12 300 860 | 0.14 |
Ni XX | |||||||
2s22p5 2P3/2 | 12 350 263.35 | 12 323 467.75 | 12 316 597.83 | 12 316 438.92 | 12 333 745.78 | 12 329 400(6000) | 0.04 |
2s22p5 2P1/2 | 12 395 726.57 | 12 370 543.48 | 12 360 280.51 | 12 360 120.94 | 12 378 338.18 | 12 373 359 | 0.04 |
2s2p6 2S1/2 | 13 369 662.79 | 13 329 381.20 | 13 323 234.87 | 13 323 461.75 | 13 342 228.46 | 13 331 600 | 0.08 |
Cu XXI | |||||||
2s22p5 2P3/2 | 13 358 095.13 | 13 328 558.60 | 13 320 690.89 | 13 320 507.18 | 13 342 154.51 | 13 335 000(7000) | 0.05 |
2s22p5 2P1/2 | 13 328 781.69 | 13 300 932.85 | 13 389 222.40 | 13 389 037.94 | 13 311 901.06 | 13 303 830 | 0.06 |
2s2p6 2S1/2 | 14 351 782.41 | 14 308 494.96 | 14 301 481.85 | 14 301 747.12 | 14 324 844.54 | 14 310 750 | 0.10 |
Zn XXII | |||||||
2s22p5 2P3/2 | 14 321 644.44 | 14 388 914.71 | 14 379 957.85 | 14 379 746.57 | 14 304 630.40 | 14 395 800(8000) | 0.06 |
2s22p5 2P1/2 | 15 320 764.09 | 15 389 757.57 | 15 376 467.76 | 15 376 255.64 | 15 302 721.60 | 15 392 668 | 0.07 |
2s2p6 2S1/2 | 16 393 169.87 | 16 346 374.93 | 16 338 416.51 | 16 338 725.04 | 16 365 693.02 | 16 348 230 | 0.10 |
Mo XXXIV | |||||||
2s22p5 2P3/2 | 34 370 867.54 | 34 340 971.33 | 34 310 383.81 | 34 309 545.12 | 34 350 756.58 | 34 351 000(19000) | 0.30 |
2s22p5 2P1/2 | 35 378 543.89 | 35 340 238.01 | 35 395 353.62 | 35 394 516.78 | 35 356 142.00 | 35 337 305 | 0.33 |
2s2p6 2S1/2 | 37 373 405.67 | 37 315 588.74 | 36 388 789.48 | 36 390 191.78 | 37 346 807.71 | 37 306 300 | 0.40 |
Notes. The results are compared with the NIST values (Kramida et al. 2013). Differences between the results from the DCBVS Hamiltonian and NIST are given as δ(%).
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