This work discusses diatomic molecular spectroscopy of laser-induced plasma and analysis of data records, specifically signatures of cyanide, CN. Line strength data from various databases are compared for simulation of the CN, B2Σ+⟶X2Σ+, Δv=0 sequence. Of interest are recent predictions using an astrophysical database, i.e., ExoMol, a laser-induced fluorescence database, i.e., LIFBASE, and a program for simulating rotational, vibrational, and electronic spectra, i.e., PGOPHER. Cyanide spectra that are predicted from these databases are compared with line-strength data that have been in use by the author for the last three decades in the analysis of laser–plasma emission spectra. Comparisons with experimental laser–plasma records are communicated as well for spectral resolutions of 33 and 110 picometer. The accuracy of the CN line-strength data is better than one picometer. Laboratory experiments utilize 308 nm, 35 picosecond bursts within an overall 1 nanosecond pulse-width, and 1064 nm, 6 ns pulse-width radiation. Experimental results are compared with predictions. Differences of the databases are elaborated for equilibrium of rotational and vibrational modes and at an internal, molecular temperature of the order of 8,000 Kelvin. Applications of accurate CN data include, for example, combustion diagnosis, chemistry, and supersonic and hypersonic expansion diagnosis. The cyanide molecule is also of interest in the study of astrophysical phenomena.
{"title":"Cyanide Molecular Laser-Induced Breakdown Spectroscopy with Current Databases","authors":"C. Parigger","doi":"10.3390/atoms11040062","DOIUrl":"https://doi.org/10.3390/atoms11040062","url":null,"abstract":"This work discusses diatomic molecular spectroscopy of laser-induced plasma and analysis of data records, specifically signatures of cyanide, CN. Line strength data from various databases are compared for simulation of the CN, B2Σ+⟶X2Σ+, Δv=0 sequence. Of interest are recent predictions using an astrophysical database, i.e., ExoMol, a laser-induced fluorescence database, i.e., LIFBASE, and a program for simulating rotational, vibrational, and electronic spectra, i.e., PGOPHER. Cyanide spectra that are predicted from these databases are compared with line-strength data that have been in use by the author for the last three decades in the analysis of laser–plasma emission spectra. Comparisons with experimental laser–plasma records are communicated as well for spectral resolutions of 33 and 110 picometer. The accuracy of the CN line-strength data is better than one picometer. Laboratory experiments utilize 308 nm, 35 picosecond bursts within an overall 1 nanosecond pulse-width, and 1064 nm, 6 ns pulse-width radiation. Experimental results are compared with predictions. Differences of the databases are elaborated for equilibrium of rotational and vibrational modes and at an internal, molecular temperature of the order of 8,000 Kelvin. Applications of accurate CN data include, for example, combustion diagnosis, chemistry, and supersonic and hypersonic expansion diagnosis. The cyanide molecule is also of interest in the study of astrophysical phenomena.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49596981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
High-accuracy spectroscopy commonly requires dedicated investigation into the choice of spectral line modelling to avoid the introduction of unwanted systematic errors. For such a kind of problem, the analysis of χ2 and likelihood are normally implemented to choose among models. However, these standard practices are affected by several problems and, in the first place, they are useless if there is no clear indication in favour of a specific model. Such issues are solved by Bayesian statistics, in the context of which a probability can be assigned to different hypotheses, i.e., models, from the analysis of the same set of data. Model probabilities are obtained from the integration of the likelihood function over the model parameter space with the evaluation of the so-called Bayesian evidence. Here, some practical applications are presented within the context of the analysis of recent high-accuracy X-ray spectroscopy data of highly charged uranium ion transitions. The method to determine the most plausible profile is discussed in detail. The study of the possible presence of satellite peaks is also presented.
{"title":"Shape and Satellite Studies of Highly Charged Ions X-ray Spectra Using Bayesian Methods","authors":"M. Trassinelli","doi":"10.3390/atoms11040064","DOIUrl":"https://doi.org/10.3390/atoms11040064","url":null,"abstract":"High-accuracy spectroscopy commonly requires dedicated investigation into the choice of spectral line modelling to avoid the introduction of unwanted systematic errors. For such a kind of problem, the analysis of χ2 and likelihood are normally implemented to choose among models. However, these standard practices are affected by several problems and, in the first place, they are useless if there is no clear indication in favour of a specific model. Such issues are solved by Bayesian statistics, in the context of which a probability can be assigned to different hypotheses, i.e., models, from the analysis of the same set of data. Model probabilities are obtained from the integration of the likelihood function over the model parameter space with the evaluation of the so-called Bayesian evidence. Here, some practical applications are presented within the context of the analysis of recent high-accuracy X-ray spectroscopy data of highly charged uranium ion transitions. The method to determine the most plausible profile is discussed in detail. The study of the possible presence of satellite peaks is also presented.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48231907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Biswas, Anal Bhowmik, Arghya Das, R. Pal, S. Majumder
The growing interest in atomic structures of moderately stripped alkali-like ions in the diagnostic study and modeling of astrophysical and laboratory plasma makes an accurate many-body study of atomic properties inevitable. This work presents transition line parameters in the absence or presence of plasma atmosphere for astrophysically important candidates Ar7+, Kr7+, Xe7+, and Rn7+. We employ relativistic coupled-cluster (RCC) theory, a well-known correlation exhaustive method. In the case of a plasma environment, we use the Debye Model. Our calculations agree with experiments available in the literature for ionization potentials, transition strengths of allowed and forbidden selections, and lifetimes of several low-lying states. The unit ratios of length and velocity forms of transition matrix elements are the critical estimation of the accuracy of the transition data presented here, especially for a few presented for the first time in the literature. We do compare our findings with the available recent theoretical results. Our reported data can be helpful to the astronomer in estimating the density of the plasma environment around the astronomical objects or in the discovery of observational spectra corrected by that environment. The present results should be advantageous in the modeling and diagnostics laboratory plasma, whereas the calculated ionization potential depression parameters reveal important characteristics of atomic structure.
{"title":"Transitional Strength Under Plasma: Precise Estimations of Astrophysically Relevant Electromagnetic Transitions of Ar7, Kr7, Xe7, and Rn7 Under Plasma Atmosphere++++","authors":"S. Biswas, Anal Bhowmik, Arghya Das, R. Pal, S. Majumder","doi":"10.3390/atoms11060087","DOIUrl":"https://doi.org/10.3390/atoms11060087","url":null,"abstract":"The growing interest in atomic structures of moderately stripped alkali-like ions in the diagnostic study and modeling of astrophysical and laboratory plasma makes an accurate many-body study of atomic properties inevitable. This work presents transition line parameters in the absence or presence of plasma atmosphere for astrophysically important candidates Ar7+, Kr7+, Xe7+, and Rn7+. We employ relativistic coupled-cluster (RCC) theory, a well-known correlation exhaustive method. In the case of a plasma environment, we use the Debye Model. Our calculations agree with experiments available in the literature for ionization potentials, transition strengths of allowed and forbidden selections, and lifetimes of several low-lying states. The unit ratios of length and velocity forms of transition matrix elements are the critical estimation of the accuracy of the transition data presented here, especially for a few presented for the first time in the literature. We do compare our findings with the available recent theoretical results. Our reported data can be helpful to the astronomer in estimating the density of the plasma environment around the astronomical objects or in the discovery of observational spectra corrected by that environment. The present results should be advantageous in the modeling and diagnostics laboratory plasma, whereas the calculated ionization potential depression parameters reveal important characteristics of atomic structure.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43704077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Stellar atmospheres separate the hot and dense stellar interiors from the emptiness of space. Radiation escapes from the outermost layers of a star, carrying direct physical information. Underneath the atmosphere, the very high opacity keeps radiation thermalized and resembling a black body with the local temperature. In the atmosphere the opacity drops, and radiative energy leaks out, which is redistributed in wavelength according to the physical processes by which matter and radiation interact, in particular photoionization. In this article, I will evaluate the role of photoionization in shaping the stellar energy distribution of stars. To that end, I employ simple, state-of-the-art plane-parallel model atmospheres and a spectral synthesis code, dissecting the effects of photoionization from different chemical elements and species, for stars of different masses in the range of 0.3 to 2 M⊙. I examine and interpret the changes in the observed spectral energy distributions of the stars as a function of the atmospheric parameters. The photoionization of atomic hydrogen and H− are the most relevant contributors to the continuum opacity in the optical and near-infrared regions, while heavier elements become important in the ultraviolet region. In the spectra of the coolest stars (spectral types M and later), the continuum shape from photoionization is no longer recognizable due to the accumulation of lines, mainly from molecules. These facts have been known for a long time, but the calculations presented provide an updated quantitative evaluation and insight into the role of photoionization on the structure of stellar atmospheres.
{"title":"The Shapes of Stellar Spectra","authors":"C. Allende Prieto","doi":"10.3390/atoms11030061","DOIUrl":"https://doi.org/10.3390/atoms11030061","url":null,"abstract":"Stellar atmospheres separate the hot and dense stellar interiors from the emptiness of space. Radiation escapes from the outermost layers of a star, carrying direct physical information. Underneath the atmosphere, the very high opacity keeps radiation thermalized and resembling a black body with the local temperature. In the atmosphere the opacity drops, and radiative energy leaks out, which is redistributed in wavelength according to the physical processes by which matter and radiation interact, in particular photoionization. In this article, I will evaluate the role of photoionization in shaping the stellar energy distribution of stars. To that end, I employ simple, state-of-the-art plane-parallel model atmospheres and a spectral synthesis code, dissecting the effects of photoionization from different chemical elements and species, for stars of different masses in the range of 0.3 to 2 M⊙. I examine and interpret the changes in the observed spectral energy distributions of the stars as a function of the atmospheric parameters. The photoionization of atomic hydrogen and H− are the most relevant contributors to the continuum opacity in the optical and near-infrared regions, while heavier elements become important in the ultraviolet region. In the spectra of the coolest stars (spectral types M and later), the continuum shape from photoionization is no longer recognizable due to the accumulation of lines, mainly from molecules. These facts have been known for a long time, but the calculations presented provide an updated quantitative evaluation and insight into the role of photoionization on the structure of stellar atmospheres.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49659287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Bhatia, A. Lynas-Gray, C. Mendoza, S. Nahar, H. Nussbaumer, A. Pradhan, Anthony M. Seaton, G. Wunner, C. Zeippen
Werner Eissner (Figure 1), a pioneer in computational atomic physics, was born on 16 October 1930 in the city of Görlitz, Germany, to Bernhard and Frieda (née Eckert) Eissner [...]
Werner Eissner(图1)，计算原子物理学的先驱，于1930年10月16日出生在德国城市Görlitz，父母是Bernhard和Frieda (n e Eckert) Eissner[…]
{"title":"Werner Eissner (1930–2022): A Pioneer in Computational Atomic Physics","authors":"A. Bhatia, A. Lynas-Gray, C. Mendoza, S. Nahar, H. Nussbaumer, A. Pradhan, Anthony M. Seaton, G. Wunner, C. Zeippen","doi":"10.3390/atoms11030059","DOIUrl":"https://doi.org/10.3390/atoms11030059","url":null,"abstract":"Werner Eissner (Figure 1), a pioneer in computational atomic physics, was born on 16 October 1930 in the city of Görlitz, Germany, to Bernhard and Frieda (née Eckert) Eissner [...]","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43092685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Heteronuclear diatomic rare gas molecular cations feature excited electronic terms with charge transfer character located several eV above the ground term. The role of such terms in collisions involving heteronuclear ions is studied theoretically under conditions typical of the plasma-based sources of UV and IR radiation. Calculations were carried out for processes of dissociative excitation, dissociative recombination and electron impact bound–bound excitation in Ar/Xe and Kr/Xe plasmas using the recently developed semiclassical approach combined with the ab initio data for potential energy curves and oscillator strengths of electronic transitions. The approach consistently describes the contributions from the entire rovibrational manifold to the processes studied. The cross sections of the processes mentioned are calculated for wide ranges of gas temperatures and electron energies. We show that the processes considered are quite effective when they are accompanied by transitions to charge transfer terms. For the range of electron energies typical of active media of UV and IR radiation sources the cross sections exceed those reported for the processes usually considered to involve transitions between the ground and first excited electronic state. The excitation of charge transfer electronic terms can play an important role in the kinetics of rare gas mixture plasmas.
{"title":"Electron-Impact Excitation and Dissociation of Heavy Rare Gas Heteronuclear Ions via Transitions to Charge Transfer States","authors":"A. Narits, K. Kislov, V. Lebedev","doi":"10.3390/atoms11030060","DOIUrl":"https://doi.org/10.3390/atoms11030060","url":null,"abstract":"Heteronuclear diatomic rare gas molecular cations feature excited electronic terms with charge transfer character located several eV above the ground term. The role of such terms in collisions involving heteronuclear ions is studied theoretically under conditions typical of the plasma-based sources of UV and IR radiation. Calculations were carried out for processes of dissociative excitation, dissociative recombination and electron impact bound–bound excitation in Ar/Xe and Kr/Xe plasmas using the recently developed semiclassical approach combined with the ab initio data for potential energy curves and oscillator strengths of electronic transitions. The approach consistently describes the contributions from the entire rovibrational manifold to the processes studied. The cross sections of the processes mentioned are calculated for wide ranges of gas temperatures and electron energies. We show that the processes considered are quite effective when they are accompanied by transitions to charge transfer terms. For the range of electron energies typical of active media of UV and IR radiation sources the cross sections exceed those reported for the processes usually considered to involve transitions between the ground and first excited electronic state. The excitation of charge transfer electronic terms can play an important role in the kinetics of rare gas mixture plasmas.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41793606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Weronika Biela-Nowaczyk, P. Amaro, Filipe Grilo, D. L. La Mantia, J. Tanis, A. Warczak
We report measurements of hypersatellite radiation of argon ions in the electron energy region of 5200 eV to 7500 eV. Here, we observed a strong enhancement of this hypersatellite Kαh production. Trielectronic recombination (TR) is discussed as a possible channel for Kαh production leading to this enhancement where main TR resonances are expected to occur. Data analysis was mainly based on the extracted intensity ratio of hypersatellite Kαh to Kα lines (Kαh/Kα). In addition, the collisional excitation and the collisional ionisation of the K-shell ions were modeled as main background processes of the Kα X-ray production. The Kαh/Kα intensity ratio shows a significant rise around 6500 eV electron energy by a factor of about two above the background level. This observation is compared with calculations of the expected electron energies for the resonant Kαh emission due to the KK TR process. The observed rise as a function of the electron collision energy, which occurs in the vicinity of the predicted TR resonances, is significantly stronger and energetically much wider than the results of theoretical calculations for the TR process. However, the experimental evidence of this process is not definitive.
本文报道了氩离子在5200 eV ~ 7500 eV的超卫星辐射的测量结果。在这里，我们观察到这种超卫星k - αh的产生有很强的增强。讨论了三电子复合(TR)作为k - αh产生的可能通道，导致这种增强，主要TR共振预计会发生。数据分析主要基于提取的高卫星Kαh与Kα谱线的强度比(Kαh/Kα)。此外，k -壳层离子的碰撞激发和碰撞电离是Kα x射线产生的主要背景过程。k - αh/ k - α强度比在6500 eV电子能量附近显著上升，比背景水平高出约2倍。这一观测结果与KK - TR过程引起的共振Kαh发射的期望电子能量的计算结果进行了比较。观测到的电子碰撞能量的上升，发生在预测的TR共振附近，比TR过程的理论计算结果明显更强，能量更宽。然而，这一过程的实验证据并不确定。
{"title":"Hypersatellite Kα Production in Trapped Ar Ions at KK Trielectronic Recombination Energies","authors":"Weronika Biela-Nowaczyk, P. Amaro, Filipe Grilo, D. L. La Mantia, J. Tanis, A. Warczak","doi":"10.3390/atoms11030058","DOIUrl":"https://doi.org/10.3390/atoms11030058","url":null,"abstract":"We report measurements of hypersatellite radiation of argon ions in the electron energy region of 5200 eV to 7500 eV. Here, we observed a strong enhancement of this hypersatellite Kαh production. Trielectronic recombination (TR) is discussed as a possible channel for Kαh production leading to this enhancement where main TR resonances are expected to occur. Data analysis was mainly based on the extracted intensity ratio of hypersatellite Kαh to Kα lines (Kαh/Kα). In addition, the collisional excitation and the collisional ionisation of the K-shell ions were modeled as main background processes of the Kα X-ray production. The Kαh/Kα intensity ratio shows a significant rise around 6500 eV electron energy by a factor of about two above the background level. This observation is compared with calculations of the expected electron energies for the resonant Kαh emission due to the KK TR process. The observed rise as a function of the electron collision energy, which occurs in the vicinity of the predicted TR resonances, is significantly stronger and energetically much wider than the results of theoretical calculations for the TR process. However, the experimental evidence of this process is not definitive.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43216245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Diego Inostroza, Luis Leyva-Parra, O. Yáñez, José Solar-Encinas, Alejandro Vásquez‐Espinal, M. Valenzuela, W. Tiznado
Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings have been made possible using evolutionary methods for exploring the potential energy surface (AUTOMATON program) and the Interacting Quantum Atoms (IQA) methodology, which support the observed bonding interactions. It is worth noting, however, that these structures are not the global minimum. Nonetheless, incorporating two cyclopentadienyl anion ligands (Cp) into the CaC52+ system has enhanced the relative stability of the phC isomer. Moreover, cycloparaphenylene ([8]CPP) provides system protection and kinetic stability. These results indicate that using appropriate ligands presents a promising approach for expanding the chemistry of phC species.
{"title":"Searching for Systems with Planar Hexacoordinate Carbons","authors":"Diego Inostroza, Luis Leyva-Parra, O. Yáñez, José Solar-Encinas, Alejandro Vásquez‐Espinal, M. Valenzuela, W. Tiznado","doi":"10.3390/atoms11030056","DOIUrl":"https://doi.org/10.3390/atoms11030056","url":null,"abstract":"Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings have been made possible using evolutionary methods for exploring the potential energy surface (AUTOMATON program) and the Interacting Quantum Atoms (IQA) methodology, which support the observed bonding interactions. It is worth noting, however, that these structures are not the global minimum. Nonetheless, incorporating two cyclopentadienyl anion ligands (Cp) into the CaC52+ system has enhanced the relative stability of the phC isomer. Moreover, cycloparaphenylene ([8]CPP) provides system protection and kinetic stability. These results indicate that using appropriate ligands presents a promising approach for expanding the chemistry of phC species.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41407548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Priti, Kota Inadome, Mayuko Funabashi, N. Nakamura, H. Sakaue, I. Murakami, D. Kato
To provide spectroscopic data for W13+, the present work is focused on the analysis of spectra observed in the visible range, using a compact electron beam ion trap (CoBIT). Line identification is done by using a collisional radiative model, along with sophisticated structure calculations from FAC and GRASP2018. Most of the identified lines belong to magnetic dipole (M1) transitions between the levels of the 4f125p1 and 4f13 configurations.
{"title":"Identification of Visible Lines in Pm-like W13+","authors":"Priti, Kota Inadome, Mayuko Funabashi, N. Nakamura, H. Sakaue, I. Murakami, D. Kato","doi":"10.3390/atoms11030057","DOIUrl":"https://doi.org/10.3390/atoms11030057","url":null,"abstract":"To provide spectroscopic data for W13+, the present work is focused on the analysis of spectra observed in the visible range, using a compact electron beam ion trap (CoBIT). Line identification is done by using a collisional radiative model, along with sophisticated structure calculations from FAC and GRASP2018. Most of the identified lines belong to magnetic dipole (M1) transitions between the levels of the 4f125p1 and 4f13 configurations.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43490965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abhishek Prashant, Meetu Luthra, Kanupriya Goswami, A. Bharadvaja, K. L. Baluja
The positron impact cross-sections of pyrimidine molecules are reported from 1 eV to 5000 eV. These cross-sections include differential elastic, integral elastic, and direct ionisation. The elastic cross-sections are computed using the single-centre expansion scheme whereas the direct ionisation cross-sections are obtained using the binary-encounter-Bethe formula. The integral and differential cross-sections exhibit consistency with the experimental and other theoretical results. The direct ionisation cross-sections, which are reported for the first time, are compared with the experimental inelastic cross-sections (the sum of excitation and ionisation) to assess the trends in theoretically computed ionisation cross-sections and with the corresponding results for the electrons. The incoherently summed elastic and ionisation cross-sections match very well with the total cross-sections after 40 eV indicating the minimal impact of the positronium formation and electronic excitation processes. Based on this study, we recommend that the experimental data of the inelastic cross-sections reported by Palihawadana et al. be revisited.
{"title":"Positron Scattering from Pyrimidine","authors":"Abhishek Prashant, Meetu Luthra, Kanupriya Goswami, A. Bharadvaja, K. L. Baluja","doi":"10.3390/atoms11030055","DOIUrl":"https://doi.org/10.3390/atoms11030055","url":null,"abstract":"The positron impact cross-sections of pyrimidine molecules are reported from 1 eV to 5000 eV. These cross-sections include differential elastic, integral elastic, and direct ionisation. The elastic cross-sections are computed using the single-centre expansion scheme whereas the direct ionisation cross-sections are obtained using the binary-encounter-Bethe formula. The integral and differential cross-sections exhibit consistency with the experimental and other theoretical results. The direct ionisation cross-sections, which are reported for the first time, are compared with the experimental inelastic cross-sections (the sum of excitation and ionisation) to assess the trends in theoretically computed ionisation cross-sections and with the corresponding results for the electrons. The incoherently summed elastic and ionisation cross-sections match very well with the total cross-sections after 40 eV indicating the minimal impact of the positronium formation and electronic excitation processes. Based on this study, we recommend that the experimental data of the inelastic cross-sections reported by Palihawadana et al. be revisited.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49472345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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