Pub Date : 2026-01-29DOI: 10.1016/j.jqsrt.2026.109842
Indranath Mukhopadhyay
{"title":"High-resolution Synchrotron radiation-assisted Fourier transform infrared spectrum of the CD2 wagging band of methanol-D2 (CHD2OH) for the lower gauche- (o1) torsional vibrational state","authors":"Indranath Mukhopadhyay","doi":"10.1016/j.jqsrt.2026.109842","DOIUrl":"https://doi.org/10.1016/j.jqsrt.2026.109842","url":null,"abstract":"","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"54 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071591","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}
The profiles of nine key subTHz HO lines were recorded at various pressures and room temperature using two fundamentally different spectroscopic techniques. The beyond-Voigt line shape taking into account the speed-dependence of the collision relaxation rate was employed to analyze the high quality experimental recordings. Collisional broadening, shifting and their quadratic speed-dependence were measured for major atmospheric perturbers HO, N, O, and Ar. The found air-related line shape parameters can be used for updating atmospheric databases and propagation models.
{"title":"Beyond-Voigt collisional parameters of subTHz H2O lines for atmospheric applications","authors":"M.A. Koshelev, I.N. Vilkov, D.S. Makarov, G.Yu. Golubiatnikov, A.O. Koroleva, T.A. Galanina","doi":"10.1016/j.jqsrt.2026.109854","DOIUrl":"10.1016/j.jqsrt.2026.109854","url":null,"abstract":"<div><div>The profiles of nine key subTHz H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O lines were recorded at various pressures and room temperature using two fundamentally different spectroscopic techniques. The beyond-Voigt line shape taking into account the speed-dependence of the collision relaxation rate was employed to analyze the high quality experimental recordings. Collisional broadening, shifting and their quadratic speed-dependence were measured for major atmospheric perturbers H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O, N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, O<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, and Ar. The found air-related line shape parameters can be used for updating atmospheric databases and propagation models.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109854"},"PeriodicalIF":1.9,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071923","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}
Pub Date : 2026-01-28DOI: 10.1016/j.jqsrt.2026.109855
Ehsan Mofidipour, Matthew R. Jones, Brian D. Iverson
Control of radiative surface properties is critical in the design and optimization of thermal systems. Intrinsic radiative surface properties are generally static, but apparent radiative surface properties may be controlled by modifying the geometry of a surface. Therefore, geometric modifications enable the adaptation of thermal management systems to transient environmental conditions through dynamic control of radiative surface properties. In this study, the radiative properties of a flat, polished copper surface and the apparent radiative properties of a corrugated, polished copper surface are measured for various angles of incidence of the spectral intensity, over a limited range within the visible and near-infrared spectra (550–1100 nm). A measurement framework that relates measurements of the in-plane spectral, directional-directional reflectivity to the in-plane spectral, bidirectional reflectance distribution function (BRDF) is presented. Since the BRDF is the fundamental radiative surface property, it may be used to obtain the spectral, directional emissivity for surfaces. Results indicate that the spectral, directional-hemispherical reflectivity of the corrugated surface is significantly less than that of the flat surface. The spectral, directional emissivity of the corrugated copper surface is greater than approximately 0.93 at all wavelengths. In contrast, the spectral, directional emissivity of the flat copper surface varies between 0.6–0.73 in the visible spectral range studied and this value decreases in the near-infrared region across all directions (∼0.18–0.23). The orientation of the grooves with respect to the incident intensity affects the spectral, directional emissivity. The spectral, directional emissivity of the corrugated surface decreases by 24% (from 0.95 to 0.71), 16% (from 0.93 to 0.77), and 13% (from 0.96 to 0.83) when it was rotated 60° at 600, 800, and 1000 nm, respectively. These observations suggest that emission by the corrugated surface may be guided in a preferred direction.
{"title":"In-plane spectral, directional radiative properties of flat and corrugated polished copper surfaces between 550 and 1100 nm","authors":"Ehsan Mofidipour, Matthew R. Jones, Brian D. Iverson","doi":"10.1016/j.jqsrt.2026.109855","DOIUrl":"10.1016/j.jqsrt.2026.109855","url":null,"abstract":"<div><div>Control of radiative surface properties is critical in the design and optimization of thermal systems. Intrinsic radiative surface properties are generally static, but apparent radiative surface properties may be controlled by modifying the geometry of a surface. Therefore, geometric modifications enable the adaptation of thermal management systems to transient environmental conditions through dynamic control of radiative surface properties. In this study, the radiative properties of a flat, polished copper surface and the apparent radiative properties of a corrugated, polished copper surface are measured for various angles of incidence of the spectral intensity, over a limited range within the visible and near-infrared spectra (550–1100 nm). A measurement framework that relates measurements of the in-plane spectral, directional-directional reflectivity to the in-plane spectral, bidirectional reflectance distribution function (BRDF) is presented. Since the BRDF is the fundamental radiative surface property, it may be used to obtain the spectral, directional emissivity for surfaces. Results indicate that the spectral, directional-hemispherical reflectivity of the corrugated surface is significantly less than that of the flat surface. The spectral, directional emissivity of the corrugated copper surface is greater than approximately 0.93 at all wavelengths. In contrast, the spectral, directional emissivity of the flat copper surface varies between 0.6–0.73 in the visible spectral range studied and this value decreases in the near-infrared region across all directions (∼0.18–0.23). The orientation of the grooves with respect to the incident intensity affects the spectral, directional emissivity. The spectral, directional emissivity of the corrugated surface decreases by 24% (from 0.95 to 0.71), 16% (from 0.93 to 0.77), and 13% (from 0.96 to 0.83) when it was rotated 60° at 600, 800, and 1000 nm, respectively. These observations suggest that emission by the corrugated surface may be guided in a preferred direction.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109855"},"PeriodicalIF":1.9,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071594","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}
The room-temperature continuum absorption of pure methane and of its mixture with nitrogen and carbon dioxide was measured in the millimeter wavelength range using resonator spectrometer. The line wings contribution to the continuum was estimated to be weak. The bimolecular nature of the observed continuum was confirmed by both the expected pressure dependences and the agreement with trajectory-based simulation.
{"title":"Continuum absorption of millimeter waves by CH4-X (X=CH4, N2, CO2)","authors":"A.O. Koroleva , T.A. Galanina , I.S. Amerkhanov , E.A. Serov , A.Yu. Sekacheva , M.A. Koshelev , D.N. Chistikov , A.A. Finenko , M.Yu. Tretyakov","doi":"10.1016/j.jqsrt.2026.109841","DOIUrl":"10.1016/j.jqsrt.2026.109841","url":null,"abstract":"<div><div>The room-temperature continuum absorption of pure methane and of its mixture with nitrogen and carbon dioxide was measured in the millimeter wavelength range using resonator spectrometer. The line wings contribution to the continuum was estimated to be weak. The bimolecular nature of the observed continuum was confirmed by both the expected pressure dependences and the agreement with trajectory-based simulation.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109841"},"PeriodicalIF":1.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048523","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}
<div><div>The high resolution submillimeter wave spectra of methylene chloride (earlier recorded in the I. Physikalisches Institut, Universität zu Köln (Germany) and Laboratoire PhLAM, Université de Lille (France) in the wide spectral region of 0.075–1.1 THz) were analyzed with the goal of high accurate description of the quadrupole-rotational structures of the <sup>12</sup>CH<sub>2</sub><sup>35</sup>Cl<sup>37</sup>Cl species in the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2) vibrational states. Assignment and analysis of transitions was made in the frame of the Watson’s Hamiltonian in <span><math><mrow><mi>A</mi><mo>−</mo></mrow></math></span>reduction and <span><math><mrow><msup><mrow><mi>I</mi></mrow><mrow><mi>r</mi></mrow></msup><mo>−</mo></mrow></math></span> representation with the use of the ASYMTOPTPU computer code and SPFIT/SPCAT package of Pickett. The 4983 unresolved lines (4088 transitions) in the excited (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) vibrational state and 842 lines (1420 transitions) in the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2)) vibrational state with the maximum values of quantum number <span><math><msup><mrow><mi>J</mi></mrow><mrow><mtext>max</mtext></mrow></msup></math></span> = 95/79 and <span><math><msubsup><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow><mrow><mtext>max</mtext></mrow></msubsup></math></span> = 19/19 for the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2) vibrational states were assigned in the experimental spectra. Weighted fit of the rotational and centrifugal distortion parameters, as well as, of the quadrupole splitting parameters was made. The obtained from the fit 19/16 rotational and centrifugal distortion parameters reproduces values of the 4983/842 experimental line positions (4088/1420 transitions) with the <span><math><msub><mrow><mi>d</mi></mrow><mrow><mtext>rms</mtext></mrow></msub></math></span> = 21/26 kHz for the states (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2). Comparison with the rotational and centrifugal distortion parameters known in the literature is made and shown that the latter reproduce the same (assigned in the present study) set of the experimental line positions with the <span><math><msub><mrow><mi>d</mi></mrow><mrow><mtext>rms</mtext></mrow></msub></math></span> values which are considerably worse in comparison with the results of the present study. As to the quadrupole coupling <span><math><mrow><mi>χ</mi><mo>−</mo></mrow></math></span>parameters,
{"title":"High accurate analysis of the excited (v4 = 1) and (v4 = 2) vibrational states of 12CH235Cl37Cl in the region up to 1.1 THz","authors":"O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, Yu.V. Khudyakova, V.E. Nikolaeva","doi":"10.1016/j.jqsrt.2026.109832","DOIUrl":"10.1016/j.jqsrt.2026.109832","url":null,"abstract":"<div><div>The high resolution submillimeter wave spectra of methylene chloride (earlier recorded in the I. Physikalisches Institut, Universität zu Köln (Germany) and Laboratoire PhLAM, Université de Lille (France) in the wide spectral region of 0.075–1.1 THz) were analyzed with the goal of high accurate description of the quadrupole-rotational structures of the <sup>12</sup>CH<sub>2</sub><sup>35</sup>Cl<sup>37</sup>Cl species in the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2) vibrational states. Assignment and analysis of transitions was made in the frame of the Watson’s Hamiltonian in <span><math><mrow><mi>A</mi><mo>−</mo></mrow></math></span>reduction and <span><math><mrow><msup><mrow><mi>I</mi></mrow><mrow><mi>r</mi></mrow></msup><mo>−</mo></mrow></math></span> representation with the use of the ASYMTOPTPU computer code and SPFIT/SPCAT package of Pickett. The 4983 unresolved lines (4088 transitions) in the excited (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) vibrational state and 842 lines (1420 transitions) in the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2)) vibrational state with the maximum values of quantum number <span><math><msup><mrow><mi>J</mi></mrow><mrow><mtext>max</mtext></mrow></msup></math></span> = 95/79 and <span><math><msubsup><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow><mrow><mtext>max</mtext></mrow></msubsup></math></span> = 19/19 for the (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2) vibrational states were assigned in the experimental spectra. Weighted fit of the rotational and centrifugal distortion parameters, as well as, of the quadrupole splitting parameters was made. The obtained from the fit 19/16 rotational and centrifugal distortion parameters reproduces values of the 4983/842 experimental line positions (4088/1420 transitions) with the <span><math><msub><mrow><mi>d</mi></mrow><mrow><mtext>rms</mtext></mrow></msub></math></span> = 21/26 kHz for the states (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 1) and (<span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> = 2). Comparison with the rotational and centrifugal distortion parameters known in the literature is made and shown that the latter reproduce the same (assigned in the present study) set of the experimental line positions with the <span><math><msub><mrow><mi>d</mi></mrow><mrow><mtext>rms</mtext></mrow></msub></math></span> values which are considerably worse in comparison with the results of the present study. As to the quadrupole coupling <span><math><mrow><mi>χ</mi><mo>−</mo></mrow></math></span>parameters, ","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109832"},"PeriodicalIF":1.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048524","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}
Pub Date : 2026-01-24DOI: 10.1016/j.jqsrt.2026.109852
L. Windholz , S. Kröger , J. Ruczkowski , M. Elantkowska
Recently, revised energy values of the Nb II levels have been published, based on precise determinations of the center of gravity (cg) wavenumbers of 1121 spectral lines [ADNDT 159 (2024) 101664]. For finding the cg wave numbers for lines with widely spread hyperfine (hf) structure patterns it is necessary to know the hf constants of the involved energy levels, which are also revised or new determined in this paper. Based on these results, new semi-empirical studies of the fine- and hf-structure of Nb II were published [JQSRT 344 (2025) 109512 and 346 (2025) 109583]. In the ADNDT-paper, experimental A-values of 349 levels are given. For the majority of the levels the semi-empirically determined A-values agree well with the experimental ones, but for 28 levels a conspicuous deviation can be noticed. In the present work we tried to clarify these discrepancies. For 14 of these 28 levels revised A-values are given. For the remaining 14 levels the previously published experimental values were retained.
{"title":"Re-evaluation and clarification of discrepancies in hyperfine structure constants of Nb II based on experimental and semi-empirical data","authors":"L. Windholz , S. Kröger , J. Ruczkowski , M. Elantkowska","doi":"10.1016/j.jqsrt.2026.109852","DOIUrl":"10.1016/j.jqsrt.2026.109852","url":null,"abstract":"<div><div>Recently, revised energy values of the Nb II levels have been published, based on precise determinations of the center of gravity (cg) wavenumbers of 1121 spectral lines [ADNDT 159 (2024) 101664]. For finding the cg wave numbers for lines with widely spread hyperfine (hf) structure patterns it is necessary to know the hf constants of the involved energy levels, which are also revised or new determined in this paper. Based on these results, new semi-empirical studies of the fine- and hf-structure of Nb II were published [JQSRT 344 (2025) 109512 and 346 (2025) 109583]. In the ADNDT-paper, experimental <em>A</em>-values of 349 levels are given. For the majority of the levels the semi-empirically determined <em>A</em>-values agree well with the experimental ones, but for 28 levels a conspicuous deviation can be noticed. In the present work we tried to clarify these discrepancies. For 14 of these 28 levels revised <em>A</em>-values are given. For the remaining 14 levels the previously published experimental values were retained.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109852"},"PeriodicalIF":1.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048522","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}
Pub Date : 2026-01-23DOI: 10.1016/j.jqsrt.2026.109834
Gérard Gouesbet , Leonardo A. Ambrosio , Jhonas O. de Sarro
We discuss a synthesis between (i) a generic formulation of generalized Lorenz–Mie theory (more generally of arbitrary light scattering theories) for an arbitrary scatterer illuminated by one laser pulse and (ii) a polychromatic generalized Lorenz–Mie theory in the strict sense, i.e. for a spherical homogeneous spherical particle, illuminated by several polychromatic non-continuous beams. The synthesis then takes the form of generic polychromatic light scattering theories for particles of arbitrary shapes and morphologies illuminated by several laser pulses, or train of pulses. Although the present work is discussed in an electromagnetic framework, it can be adapted to scalar, in particular acoustical, scattering.
{"title":"Generic polychromatic light scattering theories for particles of arbitrary shapes and morphologies illuminated by laser pulses","authors":"Gérard Gouesbet , Leonardo A. Ambrosio , Jhonas O. de Sarro","doi":"10.1016/j.jqsrt.2026.109834","DOIUrl":"10.1016/j.jqsrt.2026.109834","url":null,"abstract":"<div><div>We discuss a synthesis between (i) a generic formulation of generalized Lorenz–Mie theory (more generally of arbitrary light scattering theories) for an arbitrary scatterer illuminated by one laser pulse and (ii) a polychromatic generalized Lorenz–Mie theory in the strict sense, i.e. for a spherical homogeneous spherical particle, illuminated by several polychromatic non-continuous beams. The synthesis then takes the form of generic polychromatic light scattering theories for particles of arbitrary shapes and morphologies illuminated by several laser pulses, or train of pulses. Although the present work is discussed in an electromagnetic framework, it can be adapted to scalar, in particular acoustical, scattering.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109834"},"PeriodicalIF":1.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033172","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}
Pub Date : 2026-01-23DOI: 10.1016/j.jqsrt.2026.109833
Nikolai F. Zobov , Irina I. Mizus , Roman I. Ovsyannikov , Mikhail A. Rogov , Jonathan Tennyson , Marco Pezzella , Sergei N. Yurchenko , Robert R. Gamache , Oleg L. Polyansky
Water line list UCLH2O296 for HITRAN database has been calculated using the new global composite potential energy surface, named PES40K, obtained similarly as POKAZATEL PES by improving 246 polynomial coefficients. Nuclear motion calculations were performed using DVR3D in Radau coordinates.The PES optimization procedure was based on a method proposed by Yurchenko et al. which optimizes simultaneously with respect to both empirical energy levels and ab initio energies. Transition Intensities for the UCLH2O296 line list were computed using the ab initio CKAPTEN DMS of Conway et al. Our calculation gave 477 395 transitions up to 44500 cm−1 involving 241 234 states with 26. To label the energy levels with rovibrational quantum numbers , , , , , and , a complex procedure as a combination of 5 methods ((A) Wavefunction contribution, (B) Nodes counting, (C) Modified Hose–Taylor method, (D) Labeling merging and correction, (E) Correction by dependencies) is developed and applied to a line list. Vibrational labeling using the Wavefunction contribution method (TROVE program) is more accurate, while rotational labeling is more accurate using the modified Hose–Taylor method. At total of 92 035 levels are now labeled by , and quantum numbers, and 48 440 of these 92 035 levels were labeled fully by , , , and . Line shape coefficients are a result of a “diet” procedure. Comparisons with existing HO line lists are given.
{"title":"An assigned room temperature line list for H216O","authors":"Nikolai F. Zobov , Irina I. Mizus , Roman I. Ovsyannikov , Mikhail A. Rogov , Jonathan Tennyson , Marco Pezzella , Sergei N. Yurchenko , Robert R. Gamache , Oleg L. Polyansky","doi":"10.1016/j.jqsrt.2026.109833","DOIUrl":"10.1016/j.jqsrt.2026.109833","url":null,"abstract":"<div><div>Water line list UCLH2O296 for HITRAN database has been calculated using the new global composite potential energy surface, named PES40K, obtained similarly as POKAZATEL PES by improving 246 polynomial coefficients. Nuclear motion calculations were performed using DVR3D in Radau coordinates.The PES optimization procedure was based on a method proposed by Yurchenko et al. which optimizes simultaneously with respect to both empirical energy levels and ab initio energies. Transition Intensities for the UCLH2O296 line list were computed using the ab initio CKAPTEN DMS of Conway et al. Our calculation gave 477 395 transitions up to 44500 cm<sup>−1</sup> involving 241 234 states with <span><math><mi>J</mi></math></span> <span><math><mo>≤</mo></math></span> 26. To label the energy levels with rovibrational quantum numbers <span><math><mi>J</mi></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>, and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>, a complex procedure as a combination of 5 methods ((A) Wavefunction contribution, (B) Nodes counting, (C) Modified Hose–Taylor method, (D) Labeling merging and correction, (E) Correction by <span><math><mrow><mi>E</mi><mrow><mo>(</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>)</mo></mrow></mrow></math></span> dependencies) is developed and applied to a line list. Vibrational labeling using the Wavefunction contribution method (TROVE program) is more accurate, while rotational labeling is more accurate using the modified Hose–Taylor method. At total of 92 035 levels are now labeled by <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> quantum numbers, and 48 440 of these 92 035 levels were labeled fully by <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>. Line shape coefficients are a result of a “diet” procedure. Comparisons with existing H<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msup><mrow></mrow><mrow><mn>16</mn></mrow></msup></mrow></math></span>O line lists are given.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"354 ","pages":"Article 109833"},"PeriodicalIF":1.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033168","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}
Pub Date : 2026-01-23DOI: 10.1016/j.jqsrt.2026.109840
Simon Collignon , Brian Hays , Dimitri Lederer , Clément Lauzin
Accurate rest frequencies of torsion–rotation transitions of methanol in the centimeter wave are critical to challenge the standard model through probing hypothetical variation of fundamental constants over space and time. Even though microwave Fourier transform (FTMW) spectroscopy is a very mature technique, it fails to provide uncertainties below the kHz level and the characterization of these uncertainties remains scarce. Here, we employ a new FTMW spectrometer to measure and analyze the free induction decay (FID) signal of the 12.2 GHz torsion–rotation transition of methanol in the time domain. We discuss the systematic effects that induce a shift on the line center and quantify the associated corrections and uncertainties that pertain to the frequency estimate. The transition frequency was determined to be . This work not only provides a reference to further constrain the limit on hypothetical variation of the proton-to-electron mass ratio, but also compiles the many systematic effects that must be accounted for in general to accurately quantify the uncertainty of the frequency estimated from FID signals.
{"title":"Precision microwave spectroscopy in a Ku-band waveguide: The case study of the 12.2 GHz line of methanol","authors":"Simon Collignon , Brian Hays , Dimitri Lederer , Clément Lauzin","doi":"10.1016/j.jqsrt.2026.109840","DOIUrl":"10.1016/j.jqsrt.2026.109840","url":null,"abstract":"<div><div>Accurate rest frequencies of torsion–rotation transitions of methanol in the centimeter wave are critical to challenge the standard model through probing hypothetical variation of fundamental constants over space and time. Even though microwave Fourier transform (FTMW) spectroscopy is a very mature technique, it fails to provide uncertainties below the kHz level and the characterization of these uncertainties remains scarce. Here, we employ a new FTMW spectrometer to measure and analyze the free induction decay (FID) signal of the 12.2 GHz torsion–rotation transition of methanol in the time domain. We discuss the systematic effects that induce a shift on the line center and quantify the associated corrections and uncertainties that pertain to the frequency estimate. The transition frequency was determined to be <span><math><mrow><mn>12</mn><mo>,</mo><mn>178</mn><mo>,</mo><mn>596</mn><mo>,</mo><mn>106</mn><mo>±</mo><msub><mrow><mrow><mo>(</mo><mn>12</mn><mo>)</mo></mrow></mrow><mrow><mi>stat</mi></mrow></msub><mo>±</mo><msub><mrow><mrow><mo>(</mo><mn>243</mn><mo>)</mo></mrow></mrow><mrow><mi>sys</mi></mrow></msub><mspace></mspace><mi>Hz</mi></mrow></math></span>. This work not only provides a reference to further constrain the limit on hypothetical variation of the proton-to-electron mass ratio, but also compiles the many systematic effects that must be accounted for in general to accurately quantify the uncertainty of the frequency estimated from FID signals.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109840"},"PeriodicalIF":1.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033169","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}
Pub Date : 2026-01-23DOI: 10.1016/j.jqsrt.2026.109839
Huayong Zhang , Zhenzhen Chen
For an incident plane electromagnetic wave, its scattering by an infinitely long circular cylinder near a plane interface between free space and a uniaxial anisotropic medium is investigated. The electromagnetic fields within different regions are expressed as expansions in terms of appropriate rectangular or cylindrical vector wave functions, and the unknown expansion coefficients are determined by the continuous boundary conditions. To examine the coupling scattering effects involving the circular cylinder and the plane interface, the transformations of rectangular and cylindrical vector wave functions are applied. Normalized scattering widths and polarization states of the scattered fields are calculated, and the scattering features are discussed briefly.
{"title":"Scattering of plane electromagnetic wave by a circular cylinder near a uniaxial anisotropic plane interface","authors":"Huayong Zhang , Zhenzhen Chen","doi":"10.1016/j.jqsrt.2026.109839","DOIUrl":"10.1016/j.jqsrt.2026.109839","url":null,"abstract":"<div><div>For an incident plane electromagnetic wave, its scattering by an infinitely long circular cylinder near a plane interface between free space and a uniaxial anisotropic medium is investigated. The electromagnetic fields within different regions are expressed as expansions in terms of appropriate rectangular or cylindrical vector wave functions, and the unknown expansion coefficients are determined by the continuous boundary conditions. To examine the coupling scattering effects involving the circular cylinder and the plane interface, the transformations of rectangular and cylindrical vector wave functions are applied. Normalized scattering widths and polarization states of the scattered fields are calculated, and the scattering features are discussed briefly.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109839"},"PeriodicalIF":1.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033167","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}
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