Pseudo-Relativistic Hartree–Fock and Fully Relativistic Dirac–Hartree–Fock Calculations of Radiative Parameters in the Fifth Spectrum of Lutetium (Lu V)
Round 1
Reviewer 1 Report
This is a good work with results of great interest for the analysis of laboratory and astrophysical plasmas. In the article, the authors use two independent theoretical methods based on the pseudo relativistic Hartree-Fock (HFR) and the fully relativistic Multiconfigurational Dirac-Hartree-Fock (MCDHF) approaches to compute the radiative parameters. For these reasons and the great contribution of new data for this ion, I recommend this work for its publication in Atoms. However, I have a few comments:
- On page 1, line 31 It would be interesting if the authors could show the behavior of the 4f orbital for the fundamental configuration along the isoelectronic sequence in a graph.
- On page 2, line 58. Authors should reference the version of Cowan that they use in their HFR calculations.
- On page 3, lines 103 to 106 The authors should explain in more detail how considering the main core-valence interactions via electron excitations from the 4f and 5p orbitals replaces calculations involving CPOL methods.
- On page 3, line 117 Was the scale factor for the spin orbit parameter 0.95?
- On page 6, line 233 The syntax of the optical depths parameter should be corrected.
- On page 8, lines 295 to 335 The corresponding DOI should be added to all the references.
- On page 17 line 505 The classification of the lines given in Ref [2] could be added in table 1.
Author Response
We thank the reviewer for positive comments. Our manuscript has been corrected according to his/her suggestions as follows (corrections appear in bold in the paper): Comment : On page 1, line 31 It would be interesting if the authors could show the behavior of the 4f orbital for the fundamental configuration along the isoelectronic sequence in a graph. Answer : Figure 1 showing the behavior of 4f orbital along the isoelectronic sequence, from Ho I to Os X, has been added Comment : On page 2, line 58. Authors should reference the version of Cowan that they use in their HFR calculations. Answer : The version of the Cowan code adapted in our lab has been used. The reference in which it was first used has been used in Section 2.1 Comment : On page 3, lines 103 to 106 The authors should explain in more detail how considering the main core-valence interactions via electron excitations from the 4f and 5p orbitals replaces calculations involving CPOL methods. Answer : A new sentence has been added at the end of first paragraph of Section 2.1 Comment : On page 3, line 117 Was the scale factor for the spin orbit parameter 0.95? Answer : No scaling factor was used for spin orbit parameters. This is now clarified in 2nd paragraph of Section 2.1. Comment : On page 6, line 233 The syntax of the optical depths parameter should be corrected. Answer : This has been corrected. Comment : On page 8, lines 295 to 335 The corresponding DOI should be added to all the references. Answer : DOI is now given for each reference. Comment : On page 17 line 505 The classification of the lines given in Ref [2] could be added in table 1. Answer : The line classifications given in [2] are reported in Table 1.Reviewer 2 Report
The systematic and complete calculation of atomic transitions in lanthanides is very relevant today for kilonovae modelling, as the authors state. The case of Lu V will not be one of the most representative elements in the composition of the ejecta, since the temperatures during expansion (a few 1000 K) makes the expect composition made mostly of neutral elements or low ionisation states.
The authors present a comparison of calculations made by the HFR method with calculations made with the MCDHF method. This validation is important to give confidence in the systematic application of the first method of calculation, which is not computationally reasonable to do with the second method, due to the huge number of levels and transitions required to calculate when dealing with f-block elements.
I think it would be useful for the readers if the authors could discuss how they expect this comparison holds for neutral or low ionization states of Lu.
Author Response
We thank the reviewer for positive comments. Our manuscript has been corrected according to his/her suggestions as follows (corrections appear in bold in the text) : Comment : I think it would be useful for the readers if the authors could discuss how they expect this comparison holds for neutral or low ionization states of Lu. Answer : A short discussion about expected comparison for lower ionization stages of Lu has been added in Section 3.