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Energy levels, radiative rates and electron impact excitation rates for transitions in Be-like Ti XIX

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Published 9 October 2012 © 2012 The Royal Swedish Academy of Sciences
, , Citation Kanti M Aggarwal and Francis P Keenan 2012 Phys. Scr. 86 055301 DOI 10.1088/0031-8949/86/05/055301

1402-4896/86/5/055301

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 [13], 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 [49] 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 [1419], 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]:

Equation (1)

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 [2123].

For the electric dipole (E1) transitions

Equation (2)

for the magnetic dipole (M1) transitions

Equation (3)

for the electric quadrupole (E2) transitions

Equation (4)

and for the magnetic quadrupole (M2) transitions

Equation (5)

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]:

Equation (6)

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]:

Equation (7)

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 13 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.

Figure 1.

Figure 1. Partial collision strengths for the 2s2 1S0–2s2p 1Po1 (1–5) transition of Ti XIX, at three energies of: 100 Ryd (circles), 500 Ryd (triangles) and 900 Ryd (stars).

Standard image
Figure 2.

Figure 2. Partial collision strengths for the 2s2p 3Po0–2s2p 3Po2 (2–4) transition of Ti XIX, at three energies of: 100 Ryd (circles), 500 Ryd (triangles) and 900 Ryd (stars).

Standard image
Figure 3.

Figure 3. Partial collision strengths for the 2p2 1D0–2p2 1S0 (9–10) transition of Ti XIX, at three energies of: 100 Ryd (circles), 500 Ryd (triangles) and 900 Ryd (stars).

Standard image

In 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

aE ∼ 700 Ryd.

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.

Figure 4.

Figure 4. Comparison of collision strengths from our calculations from darc (continuous curves) and fac (broken curves) for the 4–19 (circles: 2s2p 3Po2–2s3d 3D3), 5–20 (triangles: 2s2p 1Po1–2s3d 1D2) and 8–40 (stars: 2p2 3P2–2p3d 3Do3) allowed transitions of Ti XIX.

Standard image
Figure 5.

Figure 5. Comparison of collision strengths from our calculations from darc (continuous curves) and fac (broken curves) for the 1–12 (circles: 2s2 1S0–2s3s 1S0), 2–4 (triangles: 2s2p 3Po0–2s2p 3Po2) and 3–4 (stars: 2s2p 3Po1–2s2p 3Po2) forbidden transitions of Ti XIX.

Standard image

6. 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]:

Equation (8)

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:

Equation (9)

and

Equation (10)

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 611, 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.

Figure 6.

Figure 6. Collision strengths for the 2s2 1S0–2s2p 3Po0 (1–2) transition of Ti XIX.

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Figure 7.

Figure 7. Collision strengths for the 2s2 1S0–2s2p 3Po1 (1–3) transition of Ti XIX.

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Figure 8.

Figure 8. Collision strengths for the 2s2 1S0–2s2p 3Po2 (1–4) transition of Ti XIX.

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Figure 9.

Figure 9. Collision strengths for the 2s2p 3Po0–2s2p 3Po1 (2–3) transition of Ti XIX.

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Figure 10.

Figure 10. Collision strengths for the 2s2p 3Po0–2s2p 3Po2 (2–4) transition of Ti XIX.

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Figure 11.

Figure 11. Collision strengths for the 2s2p 3Po1–2s2p 3Po2 (3–4) transition of Ti XIX.

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Our 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 611, 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 [3133], 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 [1719, 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.

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10.1088/0031-8949/86/05/055301