Accurate transition and hyperfine data in Ag I from the multiconfiguration Dirac–Hartree–Fock and relativistic coupled-cluster methods

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Table 3

Calculated second ionization potential and excitation energies (in cm⁻¹) at different levels of approximation in the FSMRCC theory compared with experimental values from the NIST ASD database (Kramida et al. 2024).

State	DHF	RCCSD	RCCSDT	Breit	Final	Experiment
Second ionization potential
4d¹⁰5s ²S _1/2	50 376.11	60 419.22	61 455.66	−58.71	61 396.95	61 106.45
Excitation energies
4d¹⁰5p ²P_1/2	23 645.86	29 405.57	29 817.80	−23.15	29 794.65	29 552.057
4d¹⁰5p ²P_3/2	24 227.72	30 324.82	30 774.22	−35.20	30 739.02	30 472.665
4d⁹5s^{2 2}D_5/2	61 491.97	34 897.95	–	198.10	35 096.05	30 242.298
4d⁹5s^{2 2}D_3/2	66 890.45	39 449.04	–	46.05	39 495.09	34 714.226
4d¹⁰6s ²S _1/2	33 261.14	41 963.06	42 897.62	−50.64	42 846.98	42 556.147
4d¹⁰6p ²P_1/2	38 590.28	47 737.47	48 666.10	−50.83	48 615.27	48 297.406
4d¹⁰6p ²P_3/2	38 758.13	47 950.68	48 879.08	−53.48	48 825.60	48 500.810
4d¹⁰5d ²D_3/2	38 393.71	48 101.67	49 088.29	−58.05	49 030.24	48 743.969
4d¹⁰5d ²D_5/2	38 409.24	48 122.18	49 113.99	−58.67	49 055.32	48 764.219
4d¹⁰7s ²S _1/2	41 637.14	51 231.60	52 235.83	−55.99	52 179.84	51 886.965
4d¹⁰7p ²P_1/2	43 717.54	53 410.22	54 405.47	−55.56	54 349.91	54 041.037
4d¹⁰7p ²P_3/2	43 788.97	53 496.26	54 490.84	−56.61	54 434.23	54 121.108
4d¹⁰6d ²D_3/2	43 633.55	53 535.84	54 555.13	−58.40	54 496.73	54 203.119
4d¹⁰4 f ²F_5/2	43 518.71	53 525.56	54 558.28	−58.67	54 499.61	54 204.729
4d¹⁰4 f ²F_7/2	43 518.64	53 525.48	54 558.04	−58.67	54 499.37	54 204.745
4d¹⁰6d ²D_5/2	43 641.70	53 545.90	54 563.71	−58.70	54 505.01	54 213.564
4d¹⁰8s ²S _1/2	45 071.25	54 908.80	55 931.10	−57.46	55 873.64	55 581.246

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