Abstract
We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in Be-like Ti XIX. The general-purpose relativistic atomic structure package is adopted for calculating energy levels and radiative rates. For determining the collision strengths and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 98 levels of the n ⩽ 4 configurations. Additionally, theoretical lifetimes are listed for all 98 levels. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 107.7 K. Comparisons are made with similar data obtained from the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for forbidden transitions, are also discussed.
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1. Introduction
Emission lines of Ti ions, including Ti XIX, have been widely measured in laboratory plasmas [1–3], due to their interest for the development of x-ray lasers. Titanium is also often a material in the walls of fusion reactors, and hence many ionization stages of this element are observed in fusion spectra due to the high temperatures. Considering its importance, several calculations have been performed in the past [4–9] to determine atomic data for energy levels, radiative rates (A-values), and excitation rates or equivalently the effective collision strengths (ϒ), which are obtained from the electron impact collision strengths (Ω). Additionally, O'Mahony et al [10] have reported analytical expressions to derive values of ϒ for Ti XIX, based on R-matrix calculations for Be-like ions between Sc XVIII and Zn XXVII. However, all these data are for transitions among the lowest ten levels of the n = 2 configurations of Ti XIX, and no calculation has so far been performed with the R-matrix code which explicitly includes the contribution of resonances in the determination of ϒ. The resonance contribution to ϒ may be highly significant, particularly for the forbidden transitions, as we will demonstrate in section 6. Therefore, in this work we report atomic data for energy levels, A-values, Ω and ϒ for transitions among the lowest 98 levels of the n ⩽ 4 configurations of Ti XIX.
For calculations of energy levels and A-values we employ the fully relativistic general-purpose relativistic atomic structure package (grasp) code, which was originally developed by Grant et al [11] and revised by Dr P H Norrington. It is a fully relativistic code, and is based on the jj coupling scheme. Further relativistic corrections arising from the Breit (magnetic) interaction and quantum electrodynamics (QED) effects (vacuum polarization and Lamb shift) have also been included. Additionally, we have used the option of extended average level, in which a weighted (proportional to 2j + 1) trace of the Hamiltonian matrix is minimized. This produces a compromise set of orbitals describing closely lying states with moderate accuracy. For our calculations of Ω, we have adopted the Dirac atomic R-matrix code (darc) of P H Norrington and I P Grant (http://web.am.qub.ac.uk/DARC/). Finally, for comparison purposes, we have performed parallel calculations with the flexible atomic code (fac) of Gu [12], available from the website http://sprg.ssl.berkeley.edu/~mfgu/fac/. This is also a fully relativistic code which provides a variety of atomic parameters, and (generally) yields results for energy levels and radiative rates comparable to grasp—see, for example, Aggarwal et al [13]. However, differences in collision strengths and subsequently in effective collision strengths with those obtained from darc can be large, particularly for forbidden transitions, as demonstrated in some of our earlier papers [14–19], and also discussed below in sections 5 and 6. Hence results from fac will be helpful in assessing the accuracy of our energy levels and radiative rates, and in estimating the contribution of resonances to the determination of effective collision strengths, included in calculations from darc but not in fac.
2. Energy levels
The 17 configurations of Ti XIX, namely (1s2) 2ℓ2ℓ', 2ℓ3ℓ' and 2ℓ4ℓ', give rise to the lowest 98 levels listed in table 1, where we also provide our level energies calculated from grasp, without and with the inclusion of Breit and QED effects. Wiese and Fuhr [20] have compiled and critically evaluated experimentally measured energy levels of Ti XIX, listed at the NIST (National Institute of Standards and Technology) website http://www.nist.gov/pml/data/asd.cfm. These compilations are included in table 1 for comparisons. However, NIST energies are not available for many levels, particularly of the 2ℓ4ℓ' configurations, and for some of the levels their results are indistinguishable—see for example: 26/27 [(2p3p) 3D2 and 1P1] and 41/42 [2p3d 3Po2,1]. Also included in the table are our calculations obtained from the fac code (FAC1), including the same CI (configuration interaction) as in grasp.
Table 1. Energy levels (in Ryd) of Ti XIX and their lifetimes (τ, s). a ± b ≡ a × 10±b.
Index | Configuration | Level | NIST | GRASP1 | GRASP2 | FAC1 | FAC2 | τ (s) |
---|---|---|---|---|---|---|---|---|
1 | 2s2 | 1S0 | 0.000 00 | 0.000 00 | 0.000 00 | 0.000 00 | 0.000 00 | – |
2 | 2s2p | 3Po0 | 2.626 18 | 2.622 68 | 2.631 05 | 2.639 67 | 2.639 07 | – |
3 | 2s2p | 3Po1 | 2.775 90 | 2.784 04 | 2.781 19 | 2.789 20 | 2.788 59 | 7.450−08 |
4 | 2s2p | 3Po2 | 3.164 47 | 3.187 96 | 3.167 88 | 3.174 63 | 3.174 11 | 9.798−04 |
5 | 2s2p | 1Po1 | 5.373 67 | 5.463 87 | 5.453 02 | 5.451 46 | 5.446 66 | 7.155−11 |
6 | 2p2 | 3P0 | 7.069 70 | 7.104 69 | 7.109 37 | 7.127 58 | 7.126 69 | 1.040−10 |
7 | 2p2 | 3P1 | 7.334 70 | 7.377 64 | 7.370 28 | 7.387 61 | 7.386 85 | 9.398−11 |
8 | 2p2 | 3P2 | 7.585 48 | 7.653 12 | 7.625 49 | 7.641 94 | 7.640 85 | 9.595−11 |
9 | 2p2 | 1D2 | 8.361 60 | 8.465 55 | 8.436 06 | 8.450 99 | 8.447 29 | 2.281−10 |
10 | 2p2 | 1S0 | 10.061 94 | 10.205 33 | 10.198 58 | 10.207 19 | 10.204 55 | 4.510−11 |
11 | 2s3s | 3S1 | 56.141 34 | 56.220 65 | 56.186 39 | 56.185 10 | 56.184 96 | 5.249−13 |
12 | 2s3s | 1S0 | 56.726 94 | 56.694 54 | 56.707 58 | 56.707 37 | 1.471−12 | |
13 | 2s3p | 3Po1 | 57.438 98 | 57.459 53 | 57.426 14 | 57.437 35 | 57.436 87 | 3.601−13 |
14 | 2s3p | 3Po0 | 57.466 76 | 57.436 97 | 57.448 53 | 57.448 67 | 3.773−11 | |
15 | 2s3p | 1Po1 | 57.598 04 | 57.559 41 | 57.570 07 | 57.569 53 | 3.042−13 | |
16 | 2s3p | 3Po2 | 57.627 28 | 57.589 31 | 57.599 59 | 57.599 74 | 2.674−11 | |
17 | 2s3d | 3D1 | 58.144 31 | 58.293 11 | 58.251 19 | 58.265 17 | 58.262 90 | 9.053−14 |
18 | 2s3d | 3D2 | 58.222 67 | 58.315 19 | 58.270 88 | 58.284 62 | 58.282 31 | 9.184−14 |
19 | 2s3d | 3D3 | 58.345 70 | 58.348 99 | 58.303 31 | 58.316 72 | 58.314 37 | 9.354−14 |
20 | 2s3d | 1D2 | 58.739 36 | 58.843 37 | 58.800 58 | 58.813 35 | 58.809 22 | 1.310−13 |
21 | 2p3s | 3Po0 | 59.526 09 | 59.497 25 | 59.523 64 | 59.523 83 | 7.179−13 | |
22 | 2p3s | 3Po1 | 59.634 58 | 59.602 04 | 59.628 81 | 59.628 57 | 6.572−13 | |
23 | 2p3s | 3Po2 | 60.101 17 | 60.047 39 | 60.071 68 | 60.071 86 | 6.185−13 | |
24 | 2p3p | 3D1 | 60.351 57 | 60.321 92 | 60.349 61 | 60.349 56 | 4.444−13 | |
25 | 2p3s | 1Po1 | 60.500 59 | 60.451 15 | 60.481 31 | 60.477 81 | 5.018−13 | |
26 | 2p3p | 3D2 | 60.663 05 | 60.699 20 | 60.659 45 | 60.686 57 | 60.686 21 | 5.143−13 |
27 | 2p3p | 1P1 | 60.663 05 | 60.709 62 | 60.670 58 | 60.698 93 | 60.698 80 | 3.752−13 |
28 | 2p3p | 3P0 | 60.925 49 | 60.976 59 | 60.947 44 | 60.997 06 | 60.995 25 | 3.291−13 |
29 | 2p3p | 3D3 | 61.052 16 | 61.129 56 | 61.069 79 | 61.093 17 | 61.092 99 | 5.181−13 |
30 | 2p3p | 3P1 | 61.158 74 | 61.107 85 | 61.138 82 | 61.138 41 | 3.461−13 | |
31 | 2p3d | 3Fo2 | 61.176 54 | 61.139 12 | 61.174 42 | 61.172 52 | 8.358−13 | |
32 | 2p3p | 3S1 | 61.066 74 | 61.335 56 | 61.284 82 | 61.321 52 | 61.320 70 | 3.430−13 |
33 | 2p3p | 3P2 | 61.398 48 | 61.345 79 | 61.390 96 | 61.389 59 | 3.161−13 | |
34 | 2p3d | 3Fo3 | 61.408 58 | 61.363 96 | 61.403 54 | 61.401 23 | 5.417−13 | |
35 | 2p3d | 1Do2 | 61.401 17 | 61.513 26 | 61.469 06 | 61.509 20 | 61.508 79 | 1.588−13 |
36 | 2p3d | 3Do1 | 61.583 43 | 61.706 01 | 61.663 33 | 61.70124 | 61.701 28 | 7.765−14 |
37 | 2p3p | 1D2 | 61.700 98 | 61.790 50 | 61.735 69 | 61.786 49 | 61.782 90 | 2.429−13 |
38 | 2p3d | 3Fo4 | 61.790 95 | 61.726 57 | 61.760 10 | 61.757 62 | 1.967−10 | |
39 | 2p3d | 3Do2 | 61.866 83 | 61.923 48 | 61.865 48 | 61.904 34 | 61.904 14 | 1.099−13 |
40 | 2p3d | 3Do3 | 62.035 42 | 62.092 65 | 62.029 08 | 62.067 90 | 62.067 75 | 7.894−14 |
41 | 2p3d | 3Po2 | 62.091 00 | 62.223 37 | 62.160 55 | 62.196 89 | 62.196 86 | 1.048−13 |
42 | 2p3d | 3Po1 | 62.091 00 | 62.247 32 | 62.186 74 | 62.224 04 | 62.223 92 | 1.151−13 |
43 | 2p3d | 3Po0 | 62.267 94 | 62.213 50 | 62.250 42 | 62.250 21 | 1.319−13 | |
44 | 2p3p | 1S0 | 62.408 39 | 62.363 01 | 62.419 88 | 62.408 15 | 3.455−13 | |
45 | 2p3d | 1Fo3 | 62.619 54 | 62.711 88 | 62.647 38 | 62.687 66 | 62.681 28 | 5.713−14 |
46 | 2p3d | 1Po1 | 62.567 60 | 62.773 56 | 62.715 47 | 62.752 47 | 62.750 37 | 9.437−14 |
47 | 2s4s | 3S1 | 75.389 81 | 75.349 08 | 75.353 60 | 75.352 48 | 9.907−13 | |
48 | 2s4s | 1S0 | 75.569 40 | 75.529 80 | 75.537 66 | 75.535 03 | 1.225−12 | |
49 | 2s4p | 3Po0 | 75.876 05 | 75.837 21 | 75.847 19 | 75.847 29 | 2.295−12 | |
50 | 2s4p | 3Po1 | 75.886 94 | 75.846 97 | 75.857 15 | 75.856 92 | 1.260−12 | |
51 | 2s4p | 3Po2 | 75.943 41 | 75.901 15 | 75.910 45 | 75.910 59 | 2.368−12 | |
52 | 2s4p | 1Po1 | 75.875 74 | 75.980 58 | 75.937 88 | 75.949 22 | 75.946 96 | 3.389−13 |
53 | 2s4d | 3D1 | 76.240 25 | 76.219 57 | 76.175 99 | 76.183 72 | 76.182 59 | 2.312−13 |
54 | 2s4d | 3D2 | 76.205 62 | 76.227 36 | 76.182 94 | 76.190 65 | 76.189 51 | 2.328−13 |
55 | 2s4d | 3D3 | 76.182 84 | 76.240 23 | 76.195 33 | 76.203 00 | 76.201 87 | 2.351−13 |
56 | 2s4d | 1D2 | 76.398 32 | 76.354 35 | 76.360 12 | 76.357 93 | 2.616−13 | |
57 | 2s4f | 3Fo2 | 76.418 05 | 76.374 18 | 76.380 62 | 76.378 11 | 5.349−13 | |
58 | 2s4f | 3Fo3 | 76.421 75 | 76.377 11 | 76.383 54 | 76.381 00 | 5.353−13 | |
59 | 2s4f | 3Fo4 | 76.427 68 | 76.382 73 | 76.389 10 | 76.386 54 | 5.359−13 | |
60 | 2s4f | 1Fo3 | 76.466 13 | 76.421 63 | 76.429 07 | 76.426 35 | 5.456−13 | |
61 | 2p4s | 3Po0 | 78.455 00 | 78.418 92 | 78.447 67 | 78.447 81 | 1.199−12 | |
62 | 2p4s | 3Po1 | 78.492 39 | 78.455 42 | 78.484 84 | 78.483 35 | 1.034−12 | |
63 | 2p4p | 3D1 | 78.813 10 | 78.776 51 | 78.808 26 | 78.808 33 | 5.671−13 | |
64 | 2p4p | 3P1 | 78.970 47 | 78.931 98 | 78.966 32 | 78.964 87 | 5.426−13 | |
65 | 2p4p | 3D2 | 78.978 02 | 78.937 80 | 78.971 86 | 78.971 07 | 5.830−13 | |
66 | 2p4s | 3Po2 | 79.033 15 | 78.973 19 | 78.999 45 | 78.999 66 | 8.714−13 | |
67 | 2p4p | 3P0 | 79.043 84 | 79.007 83 | 79.049 21 | 79.044 42 | 5.681−13 | |
68 | 2p4s | 1Po1 | 79.128 85 | 79.068 82 | 79.096 98 | 79.091 80 | 8.234−13 | |
69 | 2p4d | 3Fo2 | 79.151 88 | 79.112 03 | 79.143 33 | 79.142 16 | 7.316−13 | |
70 | 2p4d | 3Fo3 | 79.277 87 | 79.235 83 | 79.266 68 | 79.264 93 | 3.510−13 | |
71 | 2p4d | 3Do2 | 79.286 51 | 79.245 24 | 79.275 75 | 79.274 99 | 2.728−13 | |
72 | 2p4d | 3Do1 | 79.342 04 | 79.301 20 | 79.330 63 | 79.329 66 | 1.920−13 | |
73 | 2p4f | 3G3 | 79.370 04 | 79.329 10 | 79.356 44 | 79.353 51 | 5.400−13 | |
74 | 2p4f | 3F2 | 79.390 82 | 79.349 79 | 79.377 66 | 79.377 85 | 5.433−13 | |
75 | 2p4f | 3F3 | 79.391 14 | 79.350 06 | 79.377 81 | 79.377 92 | 5.395−13 | |
76 | 2p4f | 3G4 | 79.395 25 | 79.354 18 | 79.381 93 | 79.378 85 | 5.535−13 | |
77 | 2p4p | 1P1 | 79.451 85 | 79.390 94 | 79.421 49 | 79.421 07 | 5.108−13 | |
78 | 2p4p | 3D3 | 79.369 54 | 79.478 81 | 79.415 65 | 79.444 15 | 79.444 31 | 6.212−13 |
79 | 2p4p | 3P2 | 79.523 13 | 79.462 71 | 79.497 73 | 79.496 32 | 5.502−13 | |
80 | 2p4p | 3S1 | 79.538 41 | 79.477 75 | 79.510 11 | 79.506 74 | 5.276−13 | |
81 | 2p4p | 1D2 | 79.677 83 | 79.616 22 | 79.654 79 | 79.651 20 | 4.909−13 | |
82 | 2p4d | 3Fo4 | 79.754 33 | 79.689 40 | 79.718 28 | 79.716 73 | 1.088−12 | |
83 | 2p4d | 1Do2 | 79.703 06 | 79.766 25 | 79.702 71 | 79.731 17 | 79.730 51 | 3.384−13 |
84 | 2p4d | 3Do3 | 79.827 50 | 79.762 91 | 79.790 74 | 79.790 28 | 2.260−13 | |
85 | 2p4d | 3Po2 | 79.468 87 | 79.880 56 | 79.816 25 | 79.843 89 | 79.842 98 | 2.290−13 |
86 | 2p4d | 3Po1 | 79.889 19 | 79.825 68 | 79.853 54 | 79.852 12 | 2.431−13 | |
87 | 2p4d | 3Po0 | 79.898 19 | 79.837 05 | 79.865 05 | 79.863 04 | 2.797−13 | |
88 | 2p4p | 1S0 | 79.903 79 | 79.845 73 | 79.892 39 | 79.888 19 | 6.549−13 | |
89 | 2p4f | 1F3 | 79.929 31 | 79.864 66 | 79.889 54 | 79.868 57 | 5.386−13 | |
90 | 2p4f | 3F4 | 79.944 10 | 79.879 19 | 79.90411 | 79.902 53 | 5.439−13 | |
91 | 2p4f | 3D3 | 79.978 63 | 79.914 34 | 79.939 35 | 79.939 50 | 5.380−13 | |
92 | 2p4f | 3D2 | 79.981 28 | 79.917 19 | 79.942 63 | 79.940 99 | 5.385−13 | |
93 | 2p4f | 3G5 | 79.986 94 | 79.921 35 | 79.945 97 | 79.942 67 | 5.429−13 | |
94 | 2p4f | 1G4 | 80.009 56 | 79.943 90 | 79.969 57 | 79.964 34 | 5.681−13 | |
95 | 2p4f | 3D1 | 80.030 20 | 79.966 76 | 79.992 00 | 79.992 12 | 5.353−13 | |
96 | 2p4d | 1Fo3 | 79.968 24 | 80.041 75 | 79.977 04 | 80.002 88 | 79.996 91 | 1.416−13 |
97 | 2p4f | 1D2 | 80.055 01 | 79.991 17 | 80.016 90 | 80.016 75 | 5.388−13 | |
98 | 2p4d | 1Po1 | 80.070 38 | 80.008 18 | 80.033 99 | 80.029 69 | 2.077−13 |
NIST: http://nist.gov/pml/data/asd.cfm. GRASP1: energies from the grasp code with 98 level calculations without Breit and QED effects. GRASP2: energies from the grasp code with 98 level calculations with Breit and QED effects. FAC1: energies from the fac code with 98 level calculations. FAC2: energies from the fac code with 166 level calculations.
Our level energies obtained without the Breit and QED effects (GRASP1) are higher than the NIST values by up to ∼0.15 Ryd for some of the levels, such as: 9 (2p2 1D2), 10 (2p2 1S0) and 17 (2s3d 3D1). Furthermore, the ordering is also mostly the same as that of NIST. However, there are also striking differences, in both ordering and magnitude, for some of the levels, namely 45/46 [(2p3d) 1Fo3 and 1Po1], 53/54 [2s4d 3D1,2] and 85 [2d4d 3Po2] , for which the discrepancy is up to 0.4 Ryd. The inclusion of Breit and QED effects (GRASP2) lowers the energies by a maximum of ∼0.065 Ryd, indicating that for this ion the higher relativistic effects are not too important. In addition, the ordering has slightly altered in a few instances, see for example levels 37/38 [2p3p 1D2 and 2p3d 3Fo4] and 60/61 [2s4f 1Fo3 and 2p4s 3Po0]. However, the energy differences for these swapped levels are very small. Our FAC1 level energies agree with our GRASP2 calculations within 0.04 Ryd for all levels and the orderings are also the same. Small differences in the grasp and fac energies arise mostly by the ways calculations of central potential for radial orbitals and recoupling schemes of angular parts have been performed—see detailed discussion in the fac manual. A further inclusion of the 2ℓ5ℓ' configurations, labelled FAC2 calculations in table 1, makes no appreciable difference either in the magnitude or ordering of the levels. Therefore, we are confident of our energy levels listed in table 1, and assess these to be accurate to better than 0.5%.
3. Radiative rates
Since currently available A-values in the literature are limited to transitions among the lowest ten levels of Ti XIX, we here provide a complete set of data for all transitions among the 98 levels and for four types, namely electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2), as these are required in a plasma model. Furthermore, the absorption oscillator strength (fij) and radiative rate Aji (in s−1) for a transition i → j are related by the following expression [21]:
where m and e are the electron mass and charge, respectively, c is the velocity of light, λji is the transition energy/wavelength in Å, and ωi and ωj are the statistical weights of the lower (i) and upper (j) levels, respectively. Similarly, the oscillator strength fij (dimensionless) and the line strength S (in atomic unit, 1 au = 6.460 × 10−36 cm2 esu2) are related by the standard equations given below [21–23].
For the electric dipole (E1) transitions
for the magnetic dipole (M1) transitions
for the electric quadrupole (E2) transitions
and for the magnetic quadrupole (M2) transitions
In table 2 (available in the supplementary data at stacks.iop.org/PhysScr/86/055301/mmedia) we present transition energies/wavelengths (λ, in Å), radiative rates (Aji, in s−1), oscillator strengths (fij, dimensionless) and line strengths (S, in au), in length form only, for all 1468 electric dipole (E1) transitions among the 98 levels of Ti XIX. The indices used to represent the lower and upper levels of a transition have already been defined in table 1. Similarly, there are 1754 electric quadrupole (E2), 1424 magnetic dipole (M1) and 1792 magnetic quadrupole (M2) transitions among the 98 levels. However, for these transitions only the A-values are listed in table 2, and the corresponding results for f- or S-values can be easily obtained using equations (1)–(5).
As noted earlier, A-values in the literature for Ti XIX are only available for a limited number of transitions. Therefore, we have performed another calculation with the fac code of Gu [12]. In table 3 we compare our A-values from both the grasp and fac codes for some transitions among the lowest 20 levels of Ti XIX. Also included in this table are f-values from grasp because they give an indication of the strength of a transition. Similarly, to facilitate easy comparison between the two calculations, we have also listed the ratio of A-values obtained with the grasp and fac codes. For these (and many other) transitions, the agreement between the two sets of A-values is better than 20%. Indeed, for most strong transitions (f ⩾ 0.01), the A-values from grasp and fac agree to better than 20%, and the only exceptions are three transitions, namely 2–32 (2s2p 3Po0–2p3p 3S1), 32–71 (2p3p 3S1–2p4d 3Do2) and 32–83 (2p3p 3S1–2p4d 1Do2), for which the discrepancies are up to 40%. These discrepancies mainly arise from the corresponding differences in the energy levels. Furthermore, for a majority (80%) of the strong E1 transitions (f ⩾ 0.01) the length and velocity forms in our grasp calculations agree within 20%, and discrepancies for the others are mostly within a factor of two. However, for a few (∼13%) weaker transitions (f ⩽ 10−3) the two forms of the f-value differ by up to several orders of magnitude, and examples include: 4–24 (f ∼ 3 × 10−10), 4–92 (f ∼ 4 × 10−7), 29–31 (f ∼ 5 × 10−9), 30–31 (f ∼ 6 × 10−7) and 33–34 (f ∼ 3 × 10−6). Finally, as for the energy levels, the effect of additional CI is negligible on the A-values, as results for all strong E1 transitions agree within ∼20% with those obtained with the inclusion of the n = 5 configurations. To conclude, we may state that for almost all strong E1 transitions, our radiative rates are accurate to better than 20%. However, for the weaker transitions the accuracy is comparatively poorer.
Table 3. Comparison between GRASP and FAC A- values (s−1) for some transitions of Ti XIX. (a ± b ≡ a × 10±b).
i | j | f (GRASP) | A (GRASP) | A (FAC) | A(GRASP)/A(FAC) |
---|---|---|---|---|---|
1 | 3 | 6.4812−04 | 1.3423+07 | 1.359+07 | 0.99 |
1 | 5 | 1.7554−01 | 1.3976+10 | 1.395+10 | 1.00 |
1 | 13 | 3.0051−01 | 2.6535+12 | 2.704+12 | 0.98 |
1 | 15 | 3.5360−01 | 3.1367+12 | 3.139+12 | 1.00 |
2 | 7 | 6.9804−02 | 4.1978+09 | 4.216+09 | 1.00 |
2 | 11 | 2.7373−02 | 2.1021+11 | 2.138+11 | 0.98 |
2 | 17 | 7.4379−01 | 6.1609+12 | 6.164+12 | 1.00 |
3 | 7 | 1.6691−02 | 2.8235+09 | 2.836+09 | 1.00 |
3 | 8 | 2.9978−02 | 3.3905+09 | 3.406+09 | 1.00 |
3 | 9 | 7.9155−04 | 1.2199+08 | 1.216+08 | 1.00 |
3 | 10 | 5.0895−05 | 6.7477+07 | 6.728+07 | 1.00 |
3 | 11 | 2.7504−02 | 6.3011+11 | 6.398+11 | 0.98 |
3 | 12 | 3.2644−05 | 2.2865+09 | 2.542+09 | 0.90 |
3 | 17 | 1.8421−01 | 4.5527+12 | 4.552+12 | 1.00 |
3 | 18 | 5.5139−01 | 8.1824+12 | 8.191+12 | 1.00 |
3 | 20 | 1.3291−03 | 2.0101+10 | 2.005+10 | 1.00 |
4 | 7 | 1.5298−02 | 3.6169+09 | 3.639+09 | 0.99 |
4 | 8 | 4.3448−02 | 6.9346+09 | 6.970+09 | 0.99 |
4 | 9 | 6.6129−03 | 1.4742+09 | 1.481+09 | 1.00 |
4 | 11 | 2.8159−02 | 1.0597+12 | 1.073+12 | 0.99 |
4 | 17 | 7.3864−03 | 3.0003+11 | 2.995+11 | 1.00 |
4 | 18 | 1.1007−01 | 2.6845+12 | 2.684+12 | 1.00 |
4 | 19 | 6.1290−01 | 1.0690+13 | 1.071+13 | 1.00 |
4 | 20 | 1.2753−04 | 3.1706+09 | 3.292+09 | 0.96 |
5 | 6 | 1.5967−04 | 1.0556+07 | 1.086+07 | 0.97 |
5 | 7 | 6.2606−05 | 1.8485+06 | 1.906+06 | 0.97 |
5 | 8 | 4.2613−03 | 9.6929+07 | 9.917+07 | 0.98 |
5 | 9 | 6.5004−02 | 2.7878+09 | 2.832+09 | 0.98 |
5 | 10 | 4.0732−02 | 2.2105+10 | 2.220+10 | 1.00 |
5 | 11 | 2.4577−04 | 5.0813+09 | 5.156+09 | 0.99 |
5 | 12 | 1.0706−02 | 6.7738+11 | 6.918+11 | 0.98 |
5 | 17 | 1.4504−03 | 3.2478+10 | 3.240+10 | 1.00 |
5 | 18 | 1.6119−03 | 2.1672+10 | 2.255+10 | 0.96 |
5 | 20 | 5.5415−01 | 7.6008+12 | 7.577+12 | 1.00 |
6 | 13 | 6.4543−04 | 4.3753+09 | 4.612+09 | 0.95 |
6 | 15 | 8.4843−04 | 5.7819+09 | 5.845+09 | 0.99 |
7 | 13 | 1.9886−04 | 4.0023+09 | 4.093+09 | 0.98 |
7 | 14 | 3.9853−04 | 2.4073+10 | 2.495+10 | 0.96 |
7 | 15 | 7.6560−05 | 1.5491+09 | 1.648+09 | 0.94 |
7 | 16 | 9.2907−04 | 1.1292+10 | 1.149+10 | 0.98 |
8 | 13 | 1.1242−03 | 3.7325+10 | 3.847+10 | 0.97 |
8 | 15 | 1.7751−04 | 5.9255+09 | 5.804+09 | 1.02 |
8 | 16 | 1.0792−03 | 2.1640+10 | 2.213+10 | 0.98 |
9 | 13 | 2.1883−03 | 7.0310+10 | 7.267+10 | 0.97 |
9 | 15 | 4.0870−03 | 1.3203+11 | 1.333+11 | 0.99 |
9 | 16 | 8.8457−05 | 1.7167+09 | 1.798+09 | 0.95 |
10 | 13 | 9.6368−04 | 5.7551+09 | 5.311+09 | 1.08 |
10 | 15 | 5.1006−04 | 3.0633+09 | 2.620+09 | 1.17 |
11 | 13 | 2.8545−02 | 3.5242+08 | 3.576+08 | 0.99 |
11 | 14 | 1.7081−02 | 6.4376+08 | 6.595+08 | 0.98 |
11 | 15 | 2.4734−02 | 3.7454+08 | 3.864+08 | 0.97 |
11 | 16 | 9.6721−02 | 9.1747+08 | 9.343+08 | 0.98 |
4. Lifetimes
The lifetime τ for a level j is defined as follows [24]:
Since this is a measurable parameter, it provides a check on the accuracy of the calculations. Therefore, in table 1 we have also listed our calculated lifetimes, which include the contributions from four types of transitions, i.e. E1, E2, M1 and M2. To our knowledge, no calculations or measurements are available for lifetimes for any of the Ti XIX levels. However, we hope the present results will be useful for future comparisons and may encourage experimentalists to measure lifetimes, particularly for the level 2s2p 3Po2 which has a comparatively large value of ∼1 ms.
5. Collision strengths
Collision strengths (Ω) are related to the more commonly known parameter collision cross section (σij, πa02) by the following relationship [25]:
where k2i is the incident energy of the electron and ωi is the statistical weight of the initial state. Results for collisional data are preferred in the form of Ω because it is a symmetric and dimensionless quantity.
For the computation of collision strengths Ω, we have employed the darc, which includes the relativistic effects in a systematic way, in both the target description and the scattering model. It is based on the jj coupling scheme, and uses the Dirac–Coulomb Hamiltonian in the R-matrix approach. The R-matrix radius adopted for Ti XIX is 3.64 au, and 55 continuum orbitals have been included for each channel angular momentum in the expansion of the wavefunction, allowing us to compute Ω up to an energy of 1150 Ryd, i.e. ∼1070 Ryd above the highest threshold, equivalent to ∼1.7 × 108 K. This energy range is sufficient to calculate values of effective collision strength ϒ (see section 6) up to Te = 107.7 K, well above the temperature of maximum abundance in ionization equilibrium for Ti XIX, i.e. 106.9 K [26]. The maximum number of channels for a partial wave is 428, and the corresponding size of the Hamiltonian matrix is 23 579. To obtain convergence of Ω for all transitions and at all energies, we have included all partial waves with angular momentum J ⩽ 40.5, although a larger number would have been preferable for the convergence of some allowed transitions, especially at higher energies. However, to account for higher neglected partial waves, we have included a top-up, based on the Coulomb–Bethe approximation [27] for allowed transitions and geometric series for others.
For illustration, in figures 1–3 we show the variation of Ω with angular momentum J for three transitions of Ti XIX, namely 1–5 (2s2 1S0–2s2p 1Po1), 2–4 (2s2p 3Po0–2s2p 3Po2) and 9–10 (2p2 1D0–2p2 1S0), and at three energies of 100, 500 and 900 Ryd. The values of Ω have not converged for allowed transitions as shown in figure 1, for which a top-up has been included as mentioned above, and has been found to be appreciable. However, for all forbidden transitions, the values of Ω have fully converged as shown in figures 2 and 3. It is also clear from figures 2 and 3 that a large range of partial waves is required for the convergence of Ω for some of the forbidden transitions, particularly towards the higher end of the energy range.
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Standard imageIn table 4 we list our values of Ω for resonance transitions of Ti XIX at energies above thresholds. The indices used to represent the levels of a transition have already been defined in table 1. Unfortunately, no similar data are available for comparison purposes as already noted in section 1. Therefore, to make an accuracy assessment for Ω, we have performed another calculation using the fac code of Gu [12]. This code is also fully relativistic, and is based on the well-known and widely-used distorted-wave (DW) method—see for example [28, 29] and the FAC manual. Furthermore, the same CI is included in fac as in the calculations from darc. Therefore, also included in table 4 for comparison purposes are the Ω values from fac at a single excited energy Ej, which corresponds to an incident energy of ∼700 Ryd for Ti XIX. For ∼60% of the Ti XIX transitions, the values of Ω with the darc and fac codes agree within 20% at an energy of 700 Ryd. However, the discrepancies for others are much higher, particularly for weaker transitions, such as: 1–30/31/35/39/73/77/83/89/91. Most of these are weak (Ω ⩽ 10−6) and forbidden, i.e. the values of Ω have fully converged at all energies within our adopted range of partial waves in the calculations with the darc code. For such weak transitions, values of Ω from the fac code are not assessed to be accurate. Additionally, for a few transitions, such as 49–87, 50–72/86/98, 51–66/69/71/83/85, 52–68/72/86/98 and 53–63/64/77/95, the values of Ω from the fac code show a sudden increase, by orders of magnitude at some random energies, generally towards the higher end. This problem is common for many ions and examples of this can be seen in figure 6 of Aggarwal and Keenan [17, 18]. The sudden anomalous behaviour in Ω with the fac code is also responsible for the differences noted above for many transitions. Such anomalies for some transitions (both allowed and forbidden) from the fac calculations arise primarily because of the interpolation and extrapolation techniques employed in the code. In order to expedite calculations, i.e. to generate a large amount of atomic data in a comparatively very short period of time, and without too large loss of accuracy, calculations of Ω are not performed at each partial wave, but only at each J up to 5, and then the interval between successive calculations is doubled every two points, i.e. the grid is almost logarithmic—see the fac manual for further details. Similarly, some differences in Ω are expected because the DW method generally overestimates results due to the exclusion of channel coupling.
Table 4. Collision strengths for resonance transitions of Ti XIX. (a ± b ≡ a × 10±b).
Transition | Energy (Ryd) | |||||||
---|---|---|---|---|---|---|---|---|
i | j | 100 | 300 | 500 | 700 | 900 | 1100 | FACa |
1 | 2 | 7.561−4 | 2.120−4 | 9.758−5 | 5.602−5 | 3.634−5 | 2.552−5 | 6.199−5 |
1 | 3 | 8.260−3 | 6.955−3 | 6.406−3 | 5.839−3 | 5.803−3 | 5.396−3 | 8.643−3 |
1 | 4 | 3.693−3 | 1.029−3 | 4.723−4 | 2.708−4 | 1.755−4 | 1.232−4 | 3.004−4 |
1 | 5 | 6.500−1 | 7.992−1 | 8.038−1 | 7.428−1 | 7.618−1 | 6.805−1 | 9.797−1 |
1 | 6 | 7.543−5 | 5.139−5 | 4.662−5 | 4.490−5 | 4.415−5 | 4.381−5 | 3.522−5 |
1 | 7 | 6.142−5 | 1.110−5 | 3.823−6 | 1.763−6 | 9.633−7 | 5.860−7 | 2.136−6 |
1 | 8 | 3.899−4 | 3.753−4 | 3.855−4 | 3.946−4 | 4.008−4 | 4.053−4 | 3.794−4 |
1 | 9 | 1.956−3 | 2.251−3 | 2.366−3 | 2.436−3 | 2.480−3 | 2.510−3 | 2.516−3 |
1 | 10 | 9.304−4 | 7.814−4 | 7.271−4 | 7.010−4 | 6.867−4 | 6.788−4 | 6.010−4 |
1 | 11 | 7.696−4 | 1.533−4 | 6.489−5 | 3.589−5 | 2.281−5 | 1.587−5 | 3.429−5 |
1 | 12 | 2.021−2 | 2.373−2 | 2.471−2 | 2.526−2 | 2.568−2 | 2.605−2 | 2.502−2 |
1 | 13 | 9.225−3 | 2.333−2 | 3.210−2 | 3.855−2 | 4.390−2 | 4.737−2 | 4.099−2 |
1 | 14 | 2.251−4 | 3.678−5 | 1.397−5 | 7.212−6 | 4.372−6 | 2.925−6 | 6.113−6 |
1 | 15 | 1.093−2 | 2.841−2 | 3.923−2 | 4.718−2 | 5.381−2 | 5.802−2 | 4.675−2 |
1 | 16 | 1.107−3 | 1.807−4 | 6.856−5 | 3.537−5 | 2.143−5 | 1.433−5 | 3.005−5 |
1 | 17 | 1.212−3 | 2.005−4 | 7.732−5 | 4.038−5 | 2.466−5 | 1.659−5 | 3.809−5 |
1 | 18 | 2.070−3 | 4.163−4 | 2.215−4 | 1.651−4 | 1.422−4 | 1.304−4 | 1.726−4 |
1 | 19 | 2.835−3 | 4.686−4 | 1.807−4 | 9.434−5 | 5.761−5 | 3.874−5 | 8.936−5 |
1 | 20 | 3.295−2 | 5.466−2 | 6.168−2 | 6.518−2 | 6.732−2 | 6.843−2 | 6.551−2 |
1 | 21 | 3.380−6 | 6.468−7 | 2.543−7 | 1.332−7 | 8.108−8 | 5.445−8 | 1.309−7 |
1 | 22 | 2.104−4 | 5.242−4 | 7.223−4 | 8.692−4 | 9.903−4 | 1.068−3 | 8.388−4 |
1 | 23 | 1.464−5 | 2.855−6 | 1.129−6 | 5.942−7 | 3.637−7 | 2.453−7 | 5.739−7 |
1 | 24 | 3.916−5 | 9.693−6 | 4.779−6 | 3.012−6 | 2.147−6 | 1.648−6 | 1.402−6 |
1 | 25 | 7.582−4 | 1.930−3 | 2.663−3 | 3.208−3 | 3.655−3 | 3.945−3 | 3.425−3 |
1 | 26 | 8.262−5 | 5.163−5 | 4.967−5 | 4.994−5 | 5.051−5 | 5.094−5 | 4.393−5 |
1 | 27 | 2.660−5 | 7.211−6 | 3.857−6 | 2.572−6 | 1.907−6 | 1.506−6 | 8.167−7 |
1 | 28 | 1.064−5 | 6.978−6 | 6.648−6 | 6.608−6 | 6.627−6 | 6.671−6 | 6.480−6 |
1 | 29 | 6.875−5 | 1.412−5 | 5.666−6 | 2.985−6 | 1.824−6 | 1.226−6 | 3.074−6 |
1 | 30 | 1.825−5 | 4.900−6 | 2.644−6 | 1.778−6 | 1.326−6 | 1.052−6 | 5.392−7 |
1 | 31 | 4.376−5 | 7.752−6 | 4.091−6 | 2.927−6 | 2.353−6 | 2.004−6 | 8.870−7 |
1 | 32 | 1.424−5 | 2.587−6 | 1.006−6 | 5.299−7 | 3.279−7 | 2.233−7 | 4.067−7 |
1 | 33 | 6.018−5 | 7.790−5 | 8.599−5 | 9.012−5 | 9.268−5 | 9.422−5 | 8.231−5 |
1 | 34 | 6.250−5 | 2.166−5 | 1.869−5 | 1.832−5 | 1.843−5 | 1.863−5 | 1.714−5 |
1 | 35 | 4.534−5 | 1.091−5 | 7.120−6 | 5.685−6 | 4.861−6 | 4.298−6 | 8.240−7 |
1 | 36 | 2.527−4 | 4.217−4 | 5.235−4 | 5.984−4 | 6.596−4 | 6.996−4 | 5.493−4 |
1 | 37 | 1.927−4 | 3.241−4 | 3.639−4 | 3.824−4 | 3.933−4 | 3.999−4 | 3.693−4 |
1 | 38 | 6.185−5 | 8.327−6 | 3.009−6 | 1.534−6 | 9.289−7 | 6.233−7 | 1.475−6 |
1 | 39 | 3.274−5 | 7.004−6 | 4.295−6 | 3.339−6 | 2.817−6 | 2.472−6 | 6.715−7 |
1 | 40 | 2.451−5 | 8.938−6 | 8.289−6 | 8.386−6 | 8.565−6 | 8.732−6 | 8.455−6 |
1 | 41 | 5.272−5 | 8.133−6 | 3.189−6 | 1.742−6 | 1.127−6 | 8.066−7 | 1.496−6 |
1 | 42 | 5.086−5 | 2.868−5 | 3.061−5 | 3.360−5 | 3.646−5 | 3.838−5 | 3.233−5 |
1 | 43 | 1.476−5 | 2.298−6 | 8.707−7 | 4.513−7 | 2.749−7 | 1.847−7 | 4.387−7 |
1 | 44 | 7.843−5 | 7.521−5 | 7.541−5 | 7.593−5 | 7.651−5 | 7.717−5 | 7.792−5 |
1 | 45 | 1.622−4 | 2.208−4 | 2.399−4 | 2.514−4 | 2.598−4 | 2.661−4 | 2.609−4 |
1 | 46 | 1.534−3 | 2.721−3 | 3.392−3 | 3.883−3 | 4.283−3 | 4.545−3 | 3.815−3 |
1 | 47 | 3.390−4 | 5.704−5 | 2.317−5 | 1.257−5 | 7.906−6 | 5.458−6 | 1.158−5 |
1 | 48 | 3.738−3 | 4.659−3 | 4.909−3 | 5.042−3 | 5.141−3 | 5.224−3 | 5.034−3 |
1 | 49 | 1.157−4 | 1.581−5 | 5.686−6 | 2.854−6 | 1.702−6 | 1.124−6 | 2.476−6 |
1 | 50 | 7.954−4 | 1.383−3 | 1.864−3 | 2.225−3 | 2.518−3 | 2.725−3 | 2.222−3 |
1 | 51 | 5.696−4 | 7.775−5 | 2.792−5 | 1.400−5 | 8.344−6 | 5.504−6 | 1.215−5 |
1 | 52 | 3.309−3 | 9.083−3 | 1.257−2 | 1.510−2 | 1.714−2 | 1.857−2 | 1.605−2 |
1 | 53 | 4.978−4 | 7.552−5 | 2.857−5 | 1.479−5 | 8.990−6 | 6.024−6 | 1.368−5 |
1 | 54 | 8.401−4 | 1.491−4 | 7.445−5 | 5.322−5 | 4.463−5 | 4.044−5 | 5.443−5 |
1 | 55 | 1.159−3 | 1.755−4 | 6.635−5 | 3.434−5 | 2.087−5 | 1.398−5 | 3.184−5 |
1 | 56 | 4.843−3 | 8.628−3 | 9.829−3 | 1.043−2 | 1.080−2 | 1.107−2 | 1.041−2 |
1 | 57 | 3.353−4 | 3.186−5 | 1.033−5 | 4.982−6 | 2.916−6 | 1.912−6 | 3.461−6 |
1 | 58 | 4.825−4 | 7.648−5 | 4.932−5 | 4.302−5 | 4.087−5 | 3.994−5 | 4.698−5 |
1 | 59 | 6.019−4 | 5.701−5 | 1.847−5 | 8.903−6 | 5.210−6 | 3.415−6 | 6.229−6 |
1 | 60 | 1.852−3 | 3.257−3 | 3.517−3 | 3.625−3 | 3.695−3 | 3.740−3 | 3.690−3 |
1 | 61 | 1.741−6 | 2.816−7 | 1.075−7 | 5.568−8 | 3.380−8 | 2.270−8 | 5.087−8 |
1 | 62 | 1.517−5 | 2.126−5 | 2.699−5 | 3.128−5 | 3.471−5 | 3.716−5 | 3.363−5 |
1 | 63 | 1.141−5 | 2.149−6 | 9.625−7 | 5.794−7 | 4.035−7 | 3.057−7 | 3.043−7 |
1 | 64 | 1.037−5 | 1.796−6 | 7.751−7 | 4.567−7 | 3.133−7 | 2.346−7 | 2.541−7 |
1 | 65 | 1.695−5 | 6.359−6 | 5.579−6 | 5.471−6 | 5.474−6 | 5.504−6 | 4.351−6 |
1 | 66 | 8.556−6 | 1.488−6 | 5.866−7 | 3.121−7 | 1.941−7 | 1.334−7 | 2.671−7 |
1 | 67 | 1.226−5 | 1.172−5 | 1.217−5 | 1.253−5 | 1.281−5 | 1.304−5 | 1.281−5 |
1 | 68 | 2.337−5 | 3.711−5 | 4.731−5 | 5.476−5 | 6.065−5 | 6.490−5 | 6.279−5 |
1 | 69 | 2.101−5 | 2.810−6 | 1.192−6 | 7.345−7 | 5.347−7 | 4.251−7 | 3.531−7 |
1 | 70 | 2.613−5 | 8.765−6 | 8.074−6 | 8.204−6 | 8.426−6 | 8.649−6 | 9.531−6 |
1 | 71 | 2.543−5 | 3.428−6 | 1.414−6 | 8.473−7 | 6.038−7 | 4.728−7 | 4.439−7 |
1 | 72 | 1.141−4 | 1.961−4 | 2.440−4 | 2.789−4 | 3.070−4 | 3.283−4 | 2.627−4 |
1 | 73 | 5.650−6 | 6.905−7 | 3.457−7 | 2.324−7 | 1.760−7 | 1.422−7 | 5.481−8 |
1 | 74 | 1.637−5 | 3.022−5 | 3.640−5 | 3.971−5 | 4.181−5 | 4.303−5 | 3.912−5 |
1 | 75 | 8.302−6 | 8.702−7 | 3.611−7 | 2.189−7 | 1.561−7 | 1.213−7 | 9.118−8 |
1 | 76 | 7.436−6 | 5.314−6 | 5.892−6 | 6.290−6 | 6.571−6 | 6.783−6 | 6.587−6 |
1 | 77 | 7.309−6 | 1.609−6 | 8.850−7 | 6.179−7 | 4.774−7 | 3.899−7 | 1.226−7 |
1 | 78 | 1.970−5 | 3.296−6 | 1.250−6 | 6.409−7 | 3.857−7 | 2.564−7 | 6.115−7 |
1 | 79 | 1.043−5 | 4.104−6 | 3.713−6 | 3.674−6 | 3.686−6 | 3.709−6 | 2.854−6 |
1 | 80 | 9.624−6 | 1.660−6 | 6.735−7 | 3.697−7 | 2.370−7 | 1.666−7 | 2.799−7 |
1 | 81 | 1.139−5 | 1.229−5 | 1.346−5 | 1.398−5 | 1.425−5 | 1.441−5 | 1.076−5 |
1 | 82 | 2.942−5 | 3.510−6 | 1.230−6 | 6.184−7 | 3.715−7 | 2.479−7 | 5.861−7 |
1 | 83 | 1.420−5 | 2.497−6 | 1.425−6 | 1.075−6 | 8.928−7 | 7.763−7 | 1.597−7 |
1 | 84 | 1.372−5 | 2.257−6 | 1.527−6 | 1.404−6 | 1.387−6 | 1.398−6 | 1.726−6 |
1 | 85 | 2.228−5 | 2.877−6 | 1.054−6 | 5.535−7 | 3.482−7 | 2.442−7 | 4.555−7 |
1 | 86 | 1.965−5 | 7.175−6 | 6.954−6 | 7.432−6 | 7.973−6 | 8.430−6 | 7.865−6 |
1 | 87 | 7.132−6 | 9.664−7 | 3.505−7 | 1.777−7 | 1.067−7 | 7.100−8 | 1.625−7 |
1 | 88 | 4.233−5 | 4.621−5 | 4.867−5 | 5.026−5 | 5.148−5 | 5.247−5 | 5.448−5 |
1 | 89 | 3.541−6 | 6.445−7 | 4.000−7 | 2.992−7 | 2.411−7 | 2.029−7 | 2.712−8 |
1 | 90 | 3.440−6 | 6.498−7 | 5.698−7 | 5.732−7 | 5.854−7 | 5.978−7 | 5.785−7 |
1 | 91 | 6.938−6 | 7.258−7 | 3.153−7 | 1.995−7 | 1.469−7 | 1.171−7 | 5.622−8 |
1 | 92 | 1.004−5 | 1.510−5 | 1.812−5 | 1.981−5 | 2.091−5 | 2.153−5 | 2.033−5 |
1 | 93 | 7.123−6 | 6.086−7 | 2.188−7 | 1.130−7 | 6.895−8 | 4.640−8 | 8.223−8 |
1 | 94 | 8.379−6 | 9.444−6 | 1.072−5 | 1.150−5 | 1.203−5 | 1.243−5 | 1.245−5 |
1 | 95 | 4.414−6 | 3.638−7 | 1.129−7 | 5.313−8 | 3.059−8 | 1.982−8 | 3.719−8 |
1 | 96 | 2.170−5 | 2.570−5 | 2.883−5 | 3.082−5 | 3.226−5 | 3.341−5 | 4.402−5 |
1 | 97 | 2.212−5 | 4.245−5 | 5.137−5 | 5.624−5 | 5.936−5 | 6.116−5 | 5.829−5 |
1 | 98 | 3.068−4 | 5.630−4 | 7.035−4 | 8.051−4 | 8.867−4 | 9.489−4 | 7.958−4 |
As a further comparison between the darc and fac values of Ω, in figure 4 we show the variation of Ω with energy for three allowed transitions among the excited levels of Ti XIX, namely 4–19 (2s2p 3Po2–2s3d 3D3), 5–20 (2s2p 1Po1–2s3d 1D2) and 8–40 (2p2 3P2–2p3d 3Do3). For many transitions there are no discrepancies between the f- values obtained with the two different codes (grasp and fac) as demonstrated in table 3, and therefore the values of Ω also agree to better than 20%. Similar comparisons between the two calculations with darc and fac are shown in figure 5 for three forbidden transitions of Ti XIX, namely 1–12 (2s2 1S0–2s3s 1S0), 2–4 (2s2p 3Po0–2s2p 3Po2) and 3–4 (2s2p 3Po1–2s2p 3Po2). As in the case of the allowed transitions, for these forbidden ones the agreement between the two calculations is generally satisfactory, although there are some differences towards the lower end of the energy range. Therefore, on the basis of these and other comparisons discussed above, collision strengths from our darc code are assessed to be accurate to better than 20%. However, similar data from fac are not assessed to be accurate for all transitions over an entire energy range.
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Standard image6. Effective collision strengths
Excitation rates, in addition to energy levels and radiative rates, are required for plasma modelling, and are determined from the collision strengths (Ω). Since the threshold energy region is dominated by numerous closed-channel (Feshbach) resonances, values of Ω need to be calculated in a fine energy mesh to accurately account for their contribution. Furthermore, in a plasma electrons have a wide distribution of velocities, and therefore values of Ω are generally averaged over a Maxwellian distribution as follows [25]:
where k is Boltzmann constant, Te electron temperature in K and Ej the electron energy with respect to the final (excited) state. Once the value of ϒ is known the corresponding results for the excitation q(i,j) and de-excitation q(j,i) rates can be easily obtained from the following equations:
and
where ωi and ωj are the statistical weights of the initial (i) and final (j) states, respectively, and Eij is the transition energy. The contribution of resonances may enhance the values of ϒ over those of the background collision strengths (ΩB), especially for the forbidden transitions, by up to an order of magnitude (or even more) depending on the transition and/or the temperature. Similarly, values of Ω need to be calculated over a wide energy range (above thresholds) to obtain convergence of the integral in equation (8), as demonstrated in figure 7 of Aggarwal and Keenan [30]. It may be noted that if for practical reasons calculations of Ω are performed only up to a limited range of energy then the high energy limits for a range of transitions can be invoked through the expressions suggested by Burgess and Tully [25]. However, there is no such need in the present work as calculations for Ω have been performed up to a reasonably high energy range, as noted in section 5.
To delineate resonances, we have performed our calculations of Ω at over ∼41 000 energies in the thresholds region. Close to thresholds (∼0.1 Ryd above a threshold) the energy mesh is 0.001 Ryd, and away from thresholds is 0.002 Ryd. Hence care has been taken to include as many resonances as possible, and with as fine a resolution as is computationally feasible. The density and importance of resonances can be appreciated from figures 6–11, where we plot Ω as a function of energy in the thresholds region for the 1–2 (2s2 1S0–2s2p 3Po0), 1–3 (2s2 1S0–2s2p 3Po1), 1–4 (2s2 1S0–2s2p 3Po2), 2–3 (2s2p 3Po0–2s2p 3Po1), 2–4 (2s2p 3Po0–2s2p 3Po2) and 3–4 (2s2p 3Po1–2s2p 3Po2) transitions, respectively. For all these (and many other) transitions the resonances are dense over the entire thresholds energy range, and hence make a significant contribution to ϒ over a wide range of temperatures. Since for many transitions, resonances are dense and have high magnitude at energies close to the thresholds, a slight displacement in their positions can significantly affect the calculations of ϒ, mostly at the low temperatures, but not at the higher ones required for Ti XIX.
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Standard imageOur calculated values of ϒ are listed in table 5 (available in the supplementary data at stacks.iop.org/PhysScr/86/055301/mmedia) over a wide temperature range up to 107.7 K, suitable for applications to a variety of plasmas. Corresponding data at any other temperature/s and/or in a different format in a machine readable form can also be requested from any one of the authors. As stated in section 1, there are only limited results available for comparison purposes. Therefore, we have also calculated values of ϒ from our non-resonant Ω data obtained with the fac code, and these are included at the lowest and the highest calculated temperatures. These calculations are particularly helpful in providing an estimate of the importance of resonances in the determination of excitation rates. Furthermore, Zhang and Sampson [7] (ZS) have reported values of ϒ for transitions among the lowest ten levels of Ti XIX. In their calculations, they have adopted the Coulomb–Born-exchange method and their results are stored in the chianti database at http://www.chiantidatabase.org/chianti_direct_data.html. In table 6 we compare our results for ϒ, from both darc and fac, with those of ZS at three temperatures of 106.3, 106.9 and 107.5 K. Values of ϒ from fac generally agree with those of ZS within 20%, because both calculations are based on the DW method and do not include the contribution of resonances. However, our corresponding results from darc are higher, by up to a factor of 4, for many transitions, mostly forbidden. This is because of the inclusion of resonances in the calculations with darc. Moreover, since resonances are spread over a wide energy range, as noted in figures 6–11, higher values of ϒ are sustained over the entire range of temperatures over which the calculations have been performed—see for example transitions 1–2/4/6/7/8/9/10.
Table 6. Comparison of ϒ values for transitions of Ti XIX. (a ± b ≡ a × 10±b).
log Te (K) | 6.3 | 6.9 | 7.5 | |||||||
---|---|---|---|---|---|---|---|---|---|---|
i | j | DARC | FAC | ZS | DARC | FAC | ZS | DARC | FAC | ZS |
1 | 2 | 3.550−3 | 1.693−3 | 1.7943−3 | 2.753−3 | 1.242−3 | 1.3135−3 | 1.240−3 | 6.553−4 | 6.9065−4 |
1 | 3 | 1.480−2 | 8.981−3 | 9.1369−3 | 1.326−2 | 8.517−3 | 8.6113−3 | 9.330−3 | 8.208−3 | 8.1786−3 |
1 | 4 | 2.041−2 | 8.224−3 | 8.7866−3 | 1.497−2 | 6.031−3 | 6.4270−3 | 6.568−3 | 3.180−3 | 3.3795−3 |
1 | 5 | 4.632−1 | 4.683−1 | 4.4407−1 | 5.414−1 | 5.558−1 | 5.4721−1 | 6.535−1 | 7.149−1 | 7.1229−1 |
1 | 6 | 2.607−4 | 1.126−4 | 1.1731−4 | 2.678−4 | 8.760−5 | 8.9602−5 | 1.421−4 | 6.029−5 | 5.9662−5 |
1 | 7 | 5.441−4 | 2.059−4 | 2.2788−4 | 5.371−4 | 1.369−4 | 1.5205−4 | 2.272−4 | 6.298−5 | 6.7922−5 |
1 | 8 | 1.003−3 | 5.224−4 | 4.8162−4 | 1.002−3 | 4.565−4 | 3.9854−4 | 6.263−4 | 4.007−4 | 3.2024−4 |
1 | 9 | 2.566−3 | 1.645−3 | 1.2143−3 | 2.660−3 | 1.826−3 | 1.3591−3 | 2.379−3 | 2.116−3 | 1.5968−3 |
1 | 10 | 1.537−3 | 6.803−4 | 5.7142−4 | 1.550−3 | 6.579−4 | 5.5271−4 | 1.102−3 | 6.290−4 | 5.3012−4 |
2 | 3 | 4.162−2 | 1.801−2 | 1.9718−2 | 2.591−2 | 1.262−2 | 1.3622−2 | 1.118−2 | 6.353−3 | 6.8570−3 |
2 | 4 | 3.037−2 | 1.380−2 | 1.3591−2 | 2.181−2 | 1.266−2 | 1.2352−2 | 1.490−2 | 1.192−2 | 1.1670−2 |
2 | 5 | 9.787−3 | 4.090−3 | 4.4369−3 | 8.125−3 | 2.829−3 | 3.0501−3 | 3.445−3 | 1.387−3 | 1.4701−3 |
2 | 6 | 2.106−3 | 1.079−3 | 1.1455−3 | 1.733−3 | 7.869−4 | 8.3760−4 | 7.891−4 | 4.119−4 | 4.3712−4 |
2 | 7 | 2.202−1 | 2.226−1 | 2.2221−1 | 2.571−1 | 2.651−1 | 2.7186−1 | 3.058−1 | 3.409−1 | 3.4776−1 |
2 | 8 | 5.388−3 | 2.428−3 | 2.5623−3 | 4.697−3 | 1.774−3 | 1.8632−3 | 2.101−3 | 9.312−4 | 9.7530−4 |
2 | 9 | 3.211−3 | 1.243−3 | 1.3231−3 | 2.916−3 | 9.069−4 | 9.6379−4 | 1.262−3 | 4.755−4 | 5.0398−4 |
2 | 10 | 5.646−4 | 1.509−4 | 1.5738−4 | 4.844−4 | 1.072−4 | 1.1212−4 | 1.976−4 | 5.397−5 | 5.6180−5 |
3 | 4 | 1.550−1 | 5.275−2 | 5.4204−2 | 9.090−2 | 4.364−2 | 4.4300−2 | 4.970−2 | 3.436−2 | 3.4175−2 |
3 | 5 | 3.741−2 | 1.261−2 | 1.3622−2 | 2.691−2 | 8.896−3 | 9.5108−3 | 1.147−2 | 4.685−3 | 4.9728−3 |
3 | 6 | 2.262−1 | 2.282−1 | 2.2576−1 | 2.631−1 | 2.725−1 | 2.7867−1 | 3.112−1 | 3.505−1 | 3.5752−1 |
3 | 7 | 1.729−1 | 1.702−1 | 1.6936−1 | 1.991−1 | 2.011−1 | 2.0605−1 | 2.307−1 | 2.564−1 | 2.6172−1 |
3 | 8 | 2.864−1 | 2.836−1 | 2.8422−1 | 3.313−1 | 3.355−1 | 3.4509−1 | 3.849−1 | 4.288−1 | 4.3893−1 |
3 | 9 | 1.843−2 | 1.106−2 | 1.0630−2 | 1.805−2 | 1.082−2 | 1.0263−2 | 1.354−2 | 1.111−2 | 1.0400−2 |
3 | 10 | 2.511−3 | 8.760−4 | 9.0560−4 | 2.237−3 | 7.512−4 | 7.8159−4 | 1.196−3 | 6.309−4 | 6.5237−4 |
4 | 5 | 7.273−2 | 2.146−2 | 2.3186−2 | 4.562−2 | 1.488−2 | 1.6003−2 | 1.844−2 | 7.398−3 | 7.8110−3 |
4 | 6 | 3.254−3 | 8.655−4 | 9.4764−4 | 2.512−3 | 6.355−4 | 6.9369−4 | 1.052−3 | 3.358−4 | 3.6439−4 |
4 | 7 | 2.884−1 | 2.858−1 | 2.8227−1 | 3.333−1 | 3.407−1 | 3.4819−1 | 3.890−1 | 4.371−1 | 4.4551−1 |
4 | 8 | 7.430−1 | 7.522−1 | 7.5185−1 | 8.635−1 | 8.957−1 | 9.2247−1 | 1.014+0 | 1.150+0 | 1.1785+0 |
4 | 9 | 1.280−1 | 1.069−1 | 1.0317−1 | 1.393−1 | 1.202−1 | 1.1693−1 | 1.469−1 | 1.465−1 | 1.4356−1 |
4 | 10 | 6.400−3 | 1.849−3 | 1.9425−3 | 5.279−3 | 1.328−3 | 1.3970−3 | 2.164−3 | 6.808−4 | 7.1247−4 |
5 | 6 | 9.319−3 | 6.618−3 | 7.2781−3 | 9.312−3 | 7.599−3 | 8.5691−3 | 8.387−3 | 9.108−3 | 1.0238−2 |
5 | 7 | 1.407−2 | 5.982−3 | 6.2057−3 | 1.208−2 | 5.274−3 | 5.4767−3 | 6.677−3 | 4.463−3 | 4.6440−3 |
5 | 8 | 1.270−1 | 1.116−1 | 1.1022−1 | 1.378−1 | 1.338−1 | 1.3584−1 | 1.462−1 | 1.687−1 | 1.7047−1 |
5 | 9 | 1.074+0 | 1.094+0 | 1.0744+0 | 1.237+0 | 1.328+0 | 1.3820+0 | 1.422+0 | 1.717+0 | 1.7953+0 |
5 | 10 | 3.799−1 | 3.868−1 | 3.9823−1 | 4.431−1 | 4.613−1 | 4.8814−1 | 5.268−1 | 5.939−1 | 6.2552−1 |
6 | 7 | 3.074−2 | 1.923−2 | 2.0870−2 | 2.496−2 | 1.359−2 | 1.4672−2 | 1.144−2 | 6.908−3 | 7.3534−3 |
6 | 8 | 2.441−2 | 1.730−2 | 1.7613−2 | 2.226−2 | 1.526−2 | 1.5500−2 | 1.620−2 | 1.347−2 | 1.3428−2 |
6 | 9 | 1.137−2 | 6.189−3 | 6.9335−3 | 9.442−3 | 4.247−3 | 4.7452−3 | 4.080−3 | 2.062−3 | 2.2528−3 |
6 | 10 | 3.660−3 | 9.244−4 | 1.0278−3 | 3.010−3 | 6.115−4 | 6.7632−4 | 1.169−3 | 2.795−4 | 3.0982−4 |
7 | 8 | 8.444−2 | 5.652−2 | 5.9629−2 | 7.490−2 | 4.555−2 | 4.7635−2 | 4.542−2 | 3.381−2 | 3.4716−2 |
7 | 9 | 5.030−2 | 2.925−2 | 3.1902−2 | 4.358−2 | 2.095−2 | 2.2555−2 | 2.079−2 | 1.163−2 | 1.2341−2 |
7 | 10 | 1.383−2 | 3.944−3 | 1.088−2 | 2.632−3 | 4.220−3 | 1.221−3 | |||
8 | 9 | 1.013−1 | 6.637−2 | 7.0516−2 | 8.985−2 | 5.088−2 | 5.3039−2 | 5.028−2 | 3.388−2 | 3.3996−2 |
8 | 10 | 1.998−2 | 8.238−3 | 8.7911−3 | 1.620−2 | 6.240−3 | 6.4961−3 | 7.948−3 | 4.246−3 | 4.2710−3 |
9 | 10 | 3.972−2 | 2.929−2 | 2.8800−2 | 4.004−2 | 3.092−2 | 3.0604−2 | 3.769−2 | 3.457−2 | 3.4692−2 |
DARC: present calculations from the darc. FAC: present calculations from the fac. ZS: calculations of Zhang and Sampson [7].
The comparison of ϒ in table 6 is limited to the 45 transitions among the lowest ten levels of Ti XIX. For a larger range of transitions, about half have a discrepancy of more than 20% over the entire range of temperatures. At lower temperatures, the differences are generally within a factor of 5, but are higher (up to two orders of magnitude) for some, such as: 2–38 (2s2p 3Po0–2p3d 3Fo4), 6–11 (2p2 3P0–2s3s 3S1), 7–11 (2p2 3P1–2s3s 3S1), 8–11 (2p2 3P2–2s3s 3S1) and 9–51 (2p2 1D2–2s4p 3Po2). Similarly, towards higher temperatures, the discrepancies for most transitions are within a factor of 2, but are larger by up to orders of magnitude for a few, such as: 2–38/43, 6–11/14/16/17 and 7–11/18/19. In most cases, our results from darc are higher because of the inclusion of resonances. However, in a few cases the values of ϒ from fac are abnormally greater because of the anomaly in the calculated values of Ω, as discussed in section 5.
7. Conclusions
In this paper we have presented results for energy levels and radiative rates for four types of transitions (E1, E2, M1 and M2) among the lowest 98 levels of Ti XIX belonging to the n ⩽ 4 configurations. Additionally, lifetimes of all the calculated levels have been reported, although no measurements or other theoretical results are available for comparison. However, based on a variety of comparisons among various calculations with the grasp and fac codes, our results for radiative rates, oscillator strengths, line strengths, lifetimes and collision strengths are judged to be accurate to better than 20% for a majority of the strong transitions (levels). Furthermore, for calculations of ϒ, resonances in the thresholds energy region are noted to be dominant for many transitions, and inclusion of their contribution has significantly enhanced the results. In the absence of other similar calculations, it is difficult to fully assess the accuracy of our ϒ results. However, since we have considered a large range of partial waves to achieve convergence of Ω at all energies, included a wide energy range to calculate values of ϒ up to Te = 107.7 K, and resolved resonances in a fine energy mesh to account for their contributions, we see no apparent deficiency in our reported data. Therefore, based on the comparisons made in section 6 and our past experience with calculations on other ions, we estimate the accuracy of our results for ϒ to be better than 20% for most transitions. Nevertheless, the present data for ϒ for transitions involving the levels of the n = 4 configurations may perhaps be improved by the inclusion of the levels of the n = 5 configurations. Furthermore, for some highly charged ions, particularly He-like, the effect of radiation damping may reduce the contribution of resonances in the determination of effective collision strengths. While this may be true for a few transitions towards the lower end of the temperature range, as demonstrated by several workers, see for example [31–33], the effect is not appreciable at high temperatures at which data are applied in the modelling of plasmas, as discussed in some of our earlier papers, such as [17–19, 34]. Nevertheless, scope remains for improvement in the reported data but until then we believe the present set of complete results for radiative and excitation rates for transitions in Ti XIX will be highly useful for the modelling of a variety of plasmas.