Journal of Quantitative Spectroscopy & Radiative Transfer最新文献

{"title":"The CH3D absorption spectrum between 5000 and 6200 cm-1: Empirical line list and rovibrational assignments based on variational calculations","authors":"O. Ben Fathallah ,&nbsp;M. Rey ,&nbsp;A. Campargue","doi":"10.1016/j.jqsrt.2025.109531","DOIUrl":"10.1016/j.jqsrt.2025.109531","url":null,"abstract":"<div><div>The absorption spectrum of monodeuterated methane, CH₃D, is studied in the 5000 – 6200 cm^-1 region by high resolution Fourier transform spectroscopy at room temperature. An empirical list including 27,600 lines was retrieved from two spectra. Relying on the position and intensity agreements with a new variational line list, about 10,150 transitions are rovibrationally assigned to 43 bands, 24 of them being newly reported. Variational positions deviate from measurements by up to 1.5 cm^-1 and the variational band intensities are found in agreement with measurements within typically 10 %. Most of the reported assignments are confirmed by Lower State Combination Difference (LSCD) relations <em>i.e.</em> their upper state energies (4039 in total) have coinciding determinations through several transitions (up to 8). The energy values are determined with a typical uncertainty better than 2 × 10^–3 cm^-1. The intensity sum of the transitions assigned in the region represents 80.4 % of the total experimental intensities in the region.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"345 ","pages":"Article 109531"},"PeriodicalIF":2.3,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fine- and hyperfine structure semi-empirical studies of singly ionized niobium. Odd-parity configurations system","authors":"J. Ruczkowski ,&nbsp;M. Elantkowska ,&nbsp;M. Klempka","doi":"10.1016/j.jqsrt.2025.109512","DOIUrl":"10.1016/j.jqsrt.2025.109512","url":null,"abstract":"<div><div>We report the results of semi-empirical calculations of the fine structure (<em>fs</em>) and the hyperfine structure (<em>hfs</em>) for the odd-parity level system of the niobium ion (Nb II), using all available experimental data. The calculations performed showed, in most cases, a very good agreement, within the experimental uncertainty or slightly above it, between the total of 156 experimental <em>hfs A</em> values and the calculated ones. The predicted energies of electronic levels, together with their Landé <span><math><msub><mrow><mi>g</mi></mrow><mrow><mi>J</mi></mrow></msub></math></span> factors, as well as the magnetic dipole <span><math><mi>A</mi></math></span> <em>hfs</em> constants for unknown levels, are also presented.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109512"},"PeriodicalIF":2.3,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144125092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The VIIRS-DNB radiance product is insufficient to assess the effect of “cool pavement” materials on nighttime radiances of treated areas","authors":"John C. Barentine","doi":"10.1016/j.jqsrt.2025.109508","DOIUrl":"10.1016/j.jqsrt.2025.109508","url":null,"abstract":"<div><div>Under increasing stress due to climate change, cities are looking for ways to mitigate its impacts. In warmer climates, they face the prospect of higher air temperatures in summer compared to historical averages due to the urban heat island effect. An approach intended to address this problem is the application of “cool pavement” treatments (CPT) to city streets to make them more reflective to sunlight. CPT raise the albedo of road surface materials such as asphalt concrete, causing them to absorb less energy from direct insolation and therefore radiate less heat at night. Raising the albedo of roadways for this purpose may also have the effect of increasing the amount of street light that is reflected into the night sky. The simplest hypothesis explaining the relationship between CPT application and upward radiance is that CPT applied to road surfaces in areas where street lighting is dominant should increase the upward radiance of neighborhoods where the treatments are applied. A simple model predicted radiance increases of 2%–6% immediately after CPT application. To test the hypothesis and model predictions, we looked for radiance changes coinciding with the application of CPT in residential neighborhoods of Phoenix, U.S., since 2020. We obtained time series radiance measurements from Visible Infrared Imaging Radiometer Suite Day-Night Band (VIIRS-DNB) data from Radiance Light Trends for Phoenix neighborhoods receiving CPT and nearby “control” neighborhoods not receiving CPT. At the 95% confidence level, we found that any increases in nighttime radiances from treated neighborhoods did not exceed about 14%. As a consequence, we cannot rule out either the expected radiance increases from our model or the possibility that CPT application yielded no change in radiance. We therefore cannot draw robust conclusions about the potential influence of CPT deployment on skyglow given the limitations of the DNB as a data source.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109508"},"PeriodicalIF":2.3,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144166407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical study on the low-lying electronic states and the effect of spin-orbit coupling of LiIn+ cation","authors":"Zhao-Yang Li,&nbsp;Zi-Yi Cheng,&nbsp;Lu-Lian Zhong,&nbsp;Yan Chen,&nbsp;Shan-Jun Chen,&nbsp;Song Li","doi":"10.1016/j.jqsrt.2025.109528","DOIUrl":"10.1016/j.jqsrt.2025.109528","url":null,"abstract":"<div><div>The low-lying electronic states of LiIn⁺, which has remained unexplored both experimentally and theoretically until now, are investigated in this work from a theoretical perspective. By employing the multireference configuration interaction method, we have successfully characterized the molecular geometries, electronic structures and vibrational levels of Λ-S electronic states of the cation associated with the four lowest dissociation limits. According to the calculation results, the species is weakly bounded in its excited states. Besides, careful analysis of the spin-orbit coupling effect reveals that it has a minimal influence on the electronic states of interest, allowing for a clearer interpretation of the electronic transitions. Furthermore, transition dipole moments, Einstein coefficients, Franck-Condon factors and radiative lifetimes of transitions from excited Ω states to the ground state have been systematically analyzed in this work. The information presented in this work is expected to serve as a valuable guideline for future researches.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109528"},"PeriodicalIF":2.3,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144155017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Physics informed neural networks to solve radiative transfer equation in absorbing-scattering media","authors":"Pratibha Biswal ,&nbsp;Jetnis Avdijaj ,&nbsp;Alessandro Parente ,&nbsp;Axel Coussement","doi":"10.1016/j.jqsrt.2025.109509","DOIUrl":"10.1016/j.jqsrt.2025.109509","url":null,"abstract":"<div><div>Physics-informed neural networks have emerged as powerful tools for addressing complex forward and inverse problems governed by partial differential equations (PDEs). By embedding PDEs into the neural network’s loss function through automatic differentiation, PINN enables efficient evaluation at scattered spatio-temporal residual points. In this study, PINN methods are applied to solve integro-differential equations in the form of radiative transfer equations (RTE), focusing on radiation in gaseous scattering media typical of high-temperature furnace environments. The scattering phase function is expanded using Legendre polynomials, and the Gauss–Legendre quadrature method is employed to accurately compute the integral terms. Both ADAM and L-BFGS optimization techniques are used. Sobol sampling is utilized for efficient residual point selection. Additionally, radiation heat balance on furnace walls is incorporated to ensure physical accuracy in 2D models. Five case studies are explored, covering scenarios of non-absorbing, absorbing, non-scattering, and scattering media to investigate the behavior of radiation transfer under varying conditions. The effects of absorption and scattering coefficients on radiation heat flux are thoroughly analyzed, and results are compared to previous models. The findings from this study provide valuable insights and practical guidelines for solving RTE in similar high-temperature applications.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109509"},"PeriodicalIF":2.3,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144166405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of the polarized reflective properties of whitecap-covered regions based on vector radiative transfer model","authors":"Qian Zhou ,&nbsp;Yong Shuai ,&nbsp;Shikui Dong ,&nbsp;Wentao Zhang ,&nbsp;Hao Zhang","doi":"10.1016/j.jqsrt.2025.109506","DOIUrl":"10.1016/j.jqsrt.2025.109506","url":null,"abstract":"<div><div>The polarization of whitecap-covered regions significantly influences the accuracy of ocean polarization remote sensing and the parameter retrieval based on polarization information. In this study, a vector radiative transfer model based on the geometric structure of whitecap is proposed to calculate the reflectance and the degree of linear polarization (DoLP) of whitecap-covered regions. The whitecap-covered region is treated as a dual-layer system consisting of a surface foam layer and a seawater layer that contains bubbles. The radiative properties of the foam and bubble layers in whitecaps are obtained by the geometric optics approximation and Mie scattering method under the framework of independent scattering theory, while those of seawater are calculated using a bio-optical model. The Vector Monte Carlo method is employed to solve the four-component vector radiative transfer equation, and the computation program is validated through a classic test case in the atmosphere-ocean system. Based on this model, a systematic investigation was conducted to analyze the influence of whitecap types, incident radiation direction, and wavelength on both spectral reflectance and the DoLP. The results indicate that changes in the type of whitecaps and the angle of incident radiation affect the spatial distribution of reflectance and DoLP, while the variations in wavelength only alter their numerical values. The influence of underwater bubbles on the DoLP of foam-covered regions is less pronounced than on pure seawater. It should be noted that the foam-type whitecap region exhibits a zero point in DoLP near an exit zenith angle of 10° only in the event of an incident zenith angle of 15°. This phenomenon provides a new perspective for in-depth research into the polarization characteristics of whitecaps.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109506"},"PeriodicalIF":2.3,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144099059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Extended calculations of energy levels and transition properties for Sn XIV-XXI","authors":"X.W. Zhang ,&nbsp;F.H. Qu ,&nbsp;B.L. Li ,&nbsp;Y.T. Wu ,&nbsp;X. Liu ,&nbsp;Y.M. Xie ,&nbsp;J. Xiao","doi":"10.1016/j.jqsrt.2025.109524","DOIUrl":"10.1016/j.jqsrt.2025.109524","url":null,"abstract":"<div><div>Highly-charged tin ions (Sn HCIs) are key sources of extreme ultraviolet (EUV) radiation used in advanced nanolithography. This work presents a comprehensive study of energy levels, transition rates, and oscillator strength for Sn XIV-XXI, calculated using relativistic configuration interaction (RCI) and relativistic many-body perturbation theory (RMBPT) methods within the flexible atomic code (FAC) package. The computational results are compared with available reference data, achieving good agreement for the majority of Sn XIV-XXI. Transition data discrepancies are noted for Sn XIV and XVI, but RCI results agree well with reference data for Sn XV and Sn XVII-XIX. This study provides an extensive dataset, demonstrating that Sn XVII-XX, in addition to the previously recognized Sn XI-XIV, may contribute to ∼13.5 nm radiation. The use of multiple methods enhances understanding of Sn ion properties, aiding spectral identification, plasma modeling, and industrial light source optimization.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109524"},"PeriodicalIF":2.3,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144155018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Approaching experimental accuracy for triatomic spectra using variational calculations: Potential energy and dipole moment surfaces of 14N216O","authors":"Irina I. Mizus ,&nbsp;Mikhail A. Rogov ,&nbsp;Nikolai F. Zobov ,&nbsp;Vladimir Yu. Makhnev ,&nbsp;Roman I. Ovsyannikov ,&nbsp;Jonathan Tennyson ,&nbsp;Oleg L. Polyansky","doi":"10.1016/j.jqsrt.2025.109463","DOIUrl":"10.1016/j.jqsrt.2025.109463","url":null,"abstract":"<div><div>The lower accuracy for line positions obtained using variational calculations (VCs) compared to effective Hamiltonian approaches is the main drawback in the VC methodology. The ability of VCs to make predictions for all the bands up to dissociation, treat several isotopologues at once and to incorporate first principle <em>ab initio</em> methods makes VCs the preferred method of constructing molecular line lists which are now widely used in astrophysics, planetary science and metrology. A significant step bringing VC of <span><math><mrow><msup><mrow></mrow><mrow><mn>14</mn></mrow></msup><msub><mrow><mtext>N</mtext></mrow><mrow><mn>2</mn></mrow></msub><msup><mrow></mrow><mrow><mn>16</mn></mrow></msup><mtext>O</mtext></mrow></math></span> line positions close to experimental accuracy is reported. High accuracy semi-empirical PESs are constructed by fitting to experimentally-derived rovibrational energy levels starting from available <em>ab initio</em> PESs. Three fitted PESs are presented, the best fit reproduces 279 energy levels up to 7000 <span><math><msup><mrow><mtext>cm</mtext></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> with <span><math><mrow><mi>J</mi><mo>=</mo><mn>0</mn><mo>,</mo><mn>2</mn></mrow></math></span> and 5 with a standard deviation of 0.004 <span><math><msup><mrow><mtext>cm</mtext></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>, which drops to 0.0028 <span><math><msup><mrow><mtext>cm</mtext></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> when about 10 % of these levels (29 levels to be precise) are removed from the fit. The extrapolation to higher <span><math><mi>J</mi></math></span> quantum numbers is shown to be very accurate up to <span><math><mi>J</mi></math></span> = 15. For extrapolation to higher <span><math><mi>J</mi></math></span> values, an additional fit of higher <span><math><mi>J</mi></math></span> energy levels is conducted, which results in a standard deviation of 0.005 <span><math><msup><mrow><mtext>cm</mtext></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> for 535 energy levels with <span><math><mrow><mi>J</mi><mo>=</mo><mn>0</mn><mo>,</mo><mn>2</mn><mo>,</mo><mn>5</mn><mo>,</mo><mn>10</mn><mo>,</mo></mrow></math></span> and 15. An <em>ab initio</em> dipole moment surface is computed and used to produce transition intensities in good agreement with the observations.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"344 ","pages":"Article 109463"},"PeriodicalIF":2.3,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144106200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the precise determination of spectroscopic parameters and vibrational energy structure of MSiH4 (M= 28, 29, 30) silane up to 9000 cm−1","authors":"O.N. Ulenikov ,&nbsp;E.S. Bekhtereva ,&nbsp;O.V. Gromova ,&nbsp;P.A. Glushkov ,&nbsp;S. Bauerecker","doi":"10.1016/j.jqsrt.2025.109486","DOIUrl":"10.1016/j.jqsrt.2025.109486","url":null,"abstract":"<div><div>An important problem for numerous applications in physics and chemistry is the precise quantitative determination of spectroscopic parameters of the <span><math><msup><mrow></mrow><mrow><mi>M</mi></mrow></msup></math></span>SiH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> (<span><math><mrow><mi>M</mi><mo>=</mo></mrow></math></span> 28, 29, 30) molecules which is solved on the basis of high accurate experimental data and of sets of symmetrized vibrational functions and tetrahedral splitting parameters for the XY<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> (T<span><math><msub><mrow></mrow><mrow><mi>d</mi></mrow></msub></math></span> symmetry) molecules recently derived in analytical form (Ulenikov et al., 2023, 2024). On that basis, vibrational energy spectra of three isotopologues of silane are predicted up to 9000 cm⁻¹ (for all polyads up to the polyad number <span><math><mrow><mi>N</mi><mo>=</mo><mn>4</mn></mrow></math></span>).</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"343 ","pages":"Article 109486"},"PeriodicalIF":2.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A numerically stable comoving frame solver for line radiative transfer","authors":"T. Ceulemans,&nbsp;F. De Ceuster,&nbsp;L. Decin","doi":"10.1016/j.jqsrt.2025.109470","DOIUrl":"10.1016/j.jqsrt.2025.109470","url":null,"abstract":"<div><div>Radiative transfer is essential in astronomy, both for interpreting observations and simulating various astrophysical phenomena. However, self-consistent line radiative transfer is computationally expensive, especially in 3D. To reduce the computational cost when utilizing a discrete angular discretization, we use a comoving frame interpretation of the radiative transfer equation. The main innovation of this paper lies in the novel stabilization method for the resulting numerical discretization. The stabilization method is able to reduce spurious oscillatory behavior in the computed intensities, at the expense of extra boundary conditions which need to be enforced. We also implement an adaptive angular discretization for the ray-tracing implementation, in order to efficiently and accurately calculate the radiation field. Finally, we apply this new numerical method to compute NLTE line radiative transfer on a hydrodynamics model, showcasing its potential improvement in computation efficiency.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"343 ","pages":"Article 109470"},"PeriodicalIF":2.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}