Ab-initio electron scattering cross-sections and transport in liquid xenon

Ab-initio electron - liquid phase xenon fully differential cross-sections for electrons scattering in liquid xenon are developed from a solution of the Dirac-Fock scattering equations, using a recently developed framework [1] which considers multipole polarizabilities, a non-local treatment of exchange, and screening and coherent scattering effects. A multi-term solution of Boltzmann's equation accounting for the full anisotropic nature of the differential cross-section is used to calculate transport properties of excess electrons in liquid xenon. The results were found to agree to within 25% of the measured mobilities and characteristic energies over the reduced field range of 10^{-4} to 1 Td. The accuracies are comparable to those achieved in the gas phase. A simple model, informed by highly accurate gas-phase cross-sections, is presented to transform highly accurate gas-phase cross-sections to improve the liquid cross-sections, which was found to enhance the accuracy of the transport coefficient calculations.Comment: 26 pages, 9 figures. arXiv admin note: text overlap with arXiv:1503.0037

An experimental and theoretical study of transient negative ions in Mg, Zn, Cd and Hg

A range of experimental and theoretical techniques have been applied to the study of transient negative ions (resonances) formed in electron scattering from the Group II metals Mg, Zn, Cd, and Hg at incident electron energies below the first ionization potential. A wealth of resonance structures have been observed and from the experimental observations and theoretical information, classifications are proposed for some of these negative ion states

Fine-structure effect for (e,2e) collisions

For the case of inelastic electron-atom scattering, it has been known for some time that significant spin effects may be observed even if spin-dependent forces on the projectile can be ignored. These spin effects result from the Pauli principle and this phenomenon has become known as the fine-structure effect. Recently, the question of whether or not these same types of effects should be observed for atomic ionization has been considered and the initial indications are that significant spin asymmetries can also be expected for atomic ionization if the final ion satisfies LS coupling and the final J state of the ion can be resolved. In this paper, we consider this problem for electron-impact ionization of inert gases. The theory of the fine-structure effect is presented for ionization and first-order distorted-wave results are compared with very recent experimental data

Positron scattering and transport in liquid helium

In previous papers we have proposed a method for the ab initio calculation of fully differential cross-sections for electron scattering in liquids and applied it to liquid argon, xenon and krypton. In this paper, we extend the procedure to the consideration of positron scattering in liquid helium, which is complicated by the annihilation process as well as the fact that the electron definition for the region 'owned' by a target atom used previously does not have a positron analogue. We explore several physically motivated definitions to obtain effective positron scattering in the dense fluid. We find that our calculations of a pure helium system cannot precisely match experimental measurements, however by including a small admixture (<0.1%) of an impurity, we can obtain reasonable agreement in the dense gas phase. In contrast, the comparison between our calculations and liquid phase measurements is less satisfactory. This provides motivation to explore further multiple scattering effects in the theory.DGC and RDW acknowledge funding from the Australian Research Council through its Discover Project (DE170101024 and DP190100696) scheme

Polarization correlations for electron-impact excitation of the resonant transitions of Ne and Ar at low incident energies

The electron-polarized-photon coincidence method is used to determine linear and circular polarization correlations in vacuum ultraviolet (VUV) for the differential electron-impact excitation of neon and argon resonance transitions at impact energies of 25 and 30 eV at small scattering angles up to 40. The circular polarization correlation is found to be positive in the case of Ne at 25 eV and supports the prediction of the present B-spline R-matrix theory concerning the violation of a long-established propensity rule regarding angular momentum transfer in electron-impact excitation of S→P transitions. Comparisons with the results from the present relativistic distorted-wave approximation and an earlier semirelativistic distorted-wave Born model are also made. For the case of Ar, at 25 and 30 eV, the circular polarization measurements remain in agreement with theory, but provide limited evidence as to whether or not the circular polarization at small scattering angles is also positive. For the linear polarizations, much better agreement with theory is obtained than in earlier measurements carried out by S. H. Zheng and K. Becker

Electron and Positron Scattering Cross Sections from CO\u3csub\u3e2\u3c/sub\u3e: A Comparative Study over a Broad Energy Range (0.1−5000 eV)

In this Review, we present a comparative study between electron and positron scattering cross sections from CO2 molecules over a broad impact energy range (0.1−5000 eV). For electron scattering, new total electron scattering cross sections (e-TCS) have been measured with a high resolution magnetically confined electron beam transmission system from 1 to 200 eV. Dissociative electron attachment processes for electron energies from 3 to 52 eV have been analyzed by measuring the relative O−anion production yield. In addition, elastic, inelastic, and total scattering cross section calculations have been carried out in the framework of the Independent Atom Model by using the Screening Corrected Additive Rule, including interference effects (IAM-SCARI). Based on the previous cross section compilation from Itikawa (J. Phys. Chem. Ref. Data, 2002, 31, 749−767) and the present measurements and calculations, an updated recommended e-TCS data set has been used as reference values to obtain a self-consistent integral cross section data set for the elastic and inelastic (vibrational excitation, electronic excitation, and ionization) scattering channels. A similar calculation has been carried out for positrons, which shows important differences between the electron scattering behavior: e.g., more relevance of the target polarization at the lower energies, more efficient excitation of the target at intermediate energies, but a lower total scattering cross section for increasing energies, even at 5000 eV. This result does not agree with the charge independence of the scattering cross section predicted by the first Born approximation (FBA). However, we have shown that the inelastic channels follow the FBA’s predictions for energies above 500 eV while the elastic part, due to the different signs of the scattering potential constituent terms, remains lower for positrons even at the maximum impact energy considered here (5000 eV). As in the case of electrons, a self-consistent set of integral positron scattering cross sections, including elastic and inelastic (vibrational excitation, electronic excitation, positronium formation, and ionization) channels is provided. Again, to derive these data, positron scattering total cross sections based on a previous compilation from Brunger et al. (J. Phys. Chem. Ref. Data, 2017, 46, 023102) and the present calculation have been used as reference values. Data for the main inelastic channels, i.e. direct ionization and positronium formation, derived with this procedure, show excellent agreement with the experimental results available in the literature. Inconsistencies found between different model potential calculations, both for the elastic and inelastic collision processes, suggest that new calculations using more sophisticated methods are required

Low-energy positron interactions with xenon

Low-energy interactions of positrons with xenon have been studied both experimentally and theoretically. The experimental measurements were carried out using a trap-based positron beam with an energy resolution of ̃80 meV, while the theoretical calculat

A Comparative Study over a Broad Energy Range (0.1-5000 eV)

Funding Information: This study has been partially supported by the Spanish Ministerio de Ciencia e Innovación (Project PID2019-104727RB-C21) and the Spanish Ministerio de Universidades (Project PRX21/00340). Work performed at Lawrence Berkeley National Laboratory was supported by the US Department of Energy, Office of Science, Division of Chemical Sciences of the Office of Basic Energy Sciences, under Contract DE-AC02-05CH11231. M.H. was supported by the US Department of Energy Office of Science, Basic Energy Sciences under Award No. DE-SC0019482. P.L.V. acknowledges the Portuguese National Funding Agency (FCT) through Research Grants CEFITEC (UIDB/00068/2020) and PTDC/FIS-AQM/31281/2017. The work is part of COST Action CA18212 - Molecular Dynamics in the GAS phase (MD-GAS). Publisher Copyright: © 2022 American Chemical Society.In this Review, we present a comparative study between electron and positron scattering cross sections from CO2 molecules over a broad impact energy range (0.1-5000 eV). For electron scattering, new total electron scattering cross sections (e-TCS) have been measured with a high resolution magnetically confined electron beam transmission system from 1 to 200 eV. Dissociative electron attachment processes for electron energies from 3 to 52 eV have been analyzed by measuring the relative O- anion production yield. In addition, elastic, inelastic, and total scattering cross section calculations have been carried out in the framework of the Independent Atom Model by using the Screening Corrected Additive Rule, including interference effects (IAM-SCARI). Based on the previous cross section compilation from Itikawa (J. Phys. Chem. Ref. Data, 2002, 31, 749-767) and the present measurements and calculations, an updated recommended e-TCS data set has been used as reference values to obtain a self-consistent integral cross section data set for the elastic and inelastic (vibrational excitation, electronic excitation, and ionization) scattering channels. A similar calculation has been carried out for positrons, which shows important differences between the electron scattering behavior: e.g., more relevance of the target polarization at the lower energies, more efficient excitation of the target at intermediate energies, but a lower total scattering cross section for increasing energies, even at 5000 eV. This result does not agree with the charge independence of the scattering cross section predicted by the first Born approximation (FBA). However, we have shown that the inelastic channels follow the FBA's predictions for energies above 500 eV while the elastic part, due to the different signs of the scattering potential constituent terms, remains lower for positrons even at the maximum impact energy considered here (5000 eV). As in the case of electrons, a self-consistent set of integral positron scattering cross sections, including elastic and inelastic (vibrational excitation, electronic excitation, positronium formation, and ionization) channels is provided. Again, to derive these data, positron scattering total cross sections based on a previous compilation from Brunger et al. (J. Phys. Chem. Ref. Data, 2017, 46, 023102) and the present calculation have been used as reference values. Data for the main inelastic channels, i.e. direct ionization and positronium formation, derived with this procedure, show excellent agreement with the experimental results available in the literature. Inconsistencies found between different model potential calculations, both for the elastic and inelastic collision processes, suggest that new calculations using more sophisticated methods are required.publishersversionpublishe

Integral Cross Sections for Electron-Zinc Scattering over a Broad Energy Range (0.01-5000 eV)

We report results from the application of our optical potential and relativistic optical potential methods to electron-zinc scattering. The energy range of this study was 0.01-5000 eV, with original results for the summed discrete electronic-state integral excitation cross sections and total ionization cross sections being presented here. When combined with our earlier elastic scattering data [Marinković et al., Phys. Rev. A 99, 062702 (2019)], and the quite limited experimental and theoretical results for those processes from other groups, we critically assemble a recommended integral cross section database for electron-zinc scattering. Electron transport coefficients are subsequently calculated for reduced electric fields ranging from 0.1 to 1000 Td, using a multiterm solution of Boltzmann's equation. Some differences with corresponding results from the earlier study of White et al. [J. Phys. D: Appl. Phys. 37, 3185 (2004)] were noted, indicating in part the necessity of having accurate and complete cross section data, over a wide energy regime, when undertaking such transport simulations.Financial support from the Ministry of Education, Science and Technological Development (Project No. OI171020) of the Republic of Serbia is also acknowledged. We thank Dr. L. Campbell for his help with some aspects of this study

DNA Barcoding Identifies Argentine Fishes from Marine and Brackish Waters

DNA barcoding has been advanced as a promising tool to aid species identification and discovery through the use of short, standardized gene targets. Despite extensive taxonomic studies, for a variety of reasons the identification of fishes can be problematic, even for experts. DNA barcoding is proving to be a useful tool in this context. However, its broad application is impeded by the need to construct a comprehensive reference sequence library for all fish species. Here, we make a regional contribution to this grand challenge by calibrating the species discrimination efficiency of barcoding among 125 Argentine fish species, representing nearly one third of the known fauna, and examine the utility of these data to address several key taxonomic uncertainties pertaining to species in this region..This study constitutes a significant contribution to the global barcode reference sequence library for fishes and demonstrates the utility of barcoding for regional species identification. As an independent assessment of alpha taxonomy, barcodes provide robust support for most morphologically based taxon concepts and also highlight key areas of taxonomic uncertainty worthy of reappraisal