Inelastic Cross Sections Research Articles

First measurement of the total inelastic cross section of positively charged kaons on argon at energies between 5.0 and 7.5 GeV

First measurement of the total inelastic cross section of positively charged kaons on argon at energies between 5.0 and 7.5 GeV

Collision rate coefficients for C7N− and C10H− with H2

ABSTRACT The anions C$_7$N$^-$ and C$_{10}$H$^-$ are the two longest of the linear (C,N)-bearing and (C,H)-bearing chains that have so far been detected in the interstellar medium (ISM). In order to glean information on their collision-induced rotational state-changing processes, we analyse the general features of new ab initio potentials describing the interaction of both linear anions with H$_2$, one of the most abundant partners in their ISM environment. We employ an artificial neural network fit of the reduced-dimensionality potential energy surface for C$_7$N$^-$...H$_2$ interaction and discuss in detail the spatial features in terms of multipolar radial coefficients. For the C$_{10}$H$^-$...H$_2$ interaction, we use the initial grid of two-dimensional raw points to generate by quadrature the Legendre expansion directly, further including the long-range terms as discussed in the main text. Quantum scattering calculations are employed to obtain rotationally inelastic cross-sections, for collision energies in the range of 10$^{-4}$ to 400 cm$^{-1}$. From them we generate the corresponding inelastic rate coefficients as a function of temperature covering the range from 10 to 50 K. The results for the rate coefficients for the longest cyanopolyyne are compared with the earlier results obtained for the smaller terms of the same series, also in collision with H$_2$. We obtain that the inelastic rate coefficients for the long linear anions are all fairly large compared with the earlier systems. The consequences of such findings on their non-equilibrium rotational populations in interstellar environments are illustrated in our conclusions.

Tilted Spins in Chains of Molecular Switches on Pb(100).

A complex based on a Ni(II) porphyrin exhibiting spin crossover on Ag(111) is studied on Pb(100) by scanning tunneling microscopy at 0.3 K. Strong molecular interactions between the phenyl and pentafluorophenyl moieties lead to the formation of molecular chains and cause a faceting of the substrate surface. The chains are located along double and multiple substrate steps that deviate from high-symmetry directions. Tunneling spectroscopy reveals spin-flip excitations of an S = 1 system. Measurements in high magnetic fields are used to identify a tilt of the complex and its hard anisotropy axis with respect to the surface normal. Electron injection into the substrate near the molecular rows induces a transition to a state with larger inelastic cross section, leaving the spin state unchanged.

Unitarity in the non-relativistic regime and implications for dark matter

Unitarity sets upper limits on partial-wave elastic and inelastic cross-sections, which are often violated by perturbative computations. We discuss the dynamics underlying these limits in the non-relativistic regime, namely long-range interactions, and show how the resummation of the 2-particle-irreducible diagrams arising from squaring inelastic processes unitarizes both elastic and inelastic cross-sections. We provide a simple prescription to obtain the unitarized cross-sections from those that do not include resummation of the squared inelastic processes. Our results are model-independent, apply to all partial waves, and affect elastic and inelastic cross-sections, with extensive implications for new physics scenarios, such as dark-matter freeze-out, indirect detection and self-interactions.

Formation of the Positronium Antihydride Molecules (H¯Ps\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\bar{\ extrm{H}}\ extrm{Ps}$$\\end{document}) in Low Energy, 5-Body Collisions of Antihydrogen Ion H¯+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\bar{\ extrm{H}}^+$$\\end{document} with Positronium Atoms Ps

In this paper we present the first pilot calculation of the elastic and inelastic cross sections for the 5-body scattering of antihydrogen ions with positronium atoms. These cross sections have not been calculated before and are not known experimentally. In particular, we focus on the collisional rearrangement reactions H¯++Ps→H¯Ps+e+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\bar{{ \\mathrm H}}^+ + \ extrm{Ps} \\rightarrow {\\bar{\ extrm{H}}}\ extrm{Ps} +{\\mathrm{e^+}}$$\\end{document} which deplete the H¯+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\bar{\ extrm{H}}^+$$\\end{document} ions and result in stable atomcules H¯Ps\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\bar{\ extrm{H}}\ extrm{Ps}$$\\end{document}. To better understand the mechanism of this rearrangement, we study the 3-dimensional, angle resolved positron densities of the 3- and 4-body fragments in the initial and final states of the rearrangement collision.

Calculation of electron-impact ionization of various benzene derivatives

Calculations of the electron-impact ionization cross-section of pyrene, anthracene, benzoyl chloride, benzophenone, and phthalonitrile are reported over a wide energy range. A comparison of theoretical models, viz. spherical complex optical potential (SCOP), pixel counting method (PCM), and the binary encounter Bethe (BEB) model is carried out. SCOP calculations provide the inelastic cross-section, and the ionization cross-section is extracted from it. This result is modified with PCM, a model previously applied to ion collisions which takes geometric screening corrections into account. The BEB model is used as an independent approach to calculate the ionization cross-section. It is demonstrated that all model results are in reasonable agreement with each other. Comparison is also made with other theoretical data where available.

Inelastic and Elastic Scattering Cross-sections for Carbon at 20-30 keV

Inelastic and Elastic Scattering Cross-sections for Carbon at 20-30 keV

Lithium inelastic cross-sections and their impact on micro and nano dosimetry of boron neutron capture

Objective. To present a new set of lithium-ion cross-sections for (i) ionization and excitation processes down to 700 eV, and (ii) charge-exchange processes down to 1 keV u−1. To evaluate the impact of the use of these cross-sections on micro a nano dosimetric quantities in the context of boron neutron capture (BNC) applications/techniques. Approach. The Classical Trajectory Monte Carlo method was used to calculate Li ion charge-exchange cross sections in the energy range of 1 keV u−1 to 10 MeV u−1. Partial Li ion charge states ionization and excitation cross-sections were calculated using a detailed charge screening factor. The cross-sections were implemented in Geant4-DNA v10.07 and simulations and verified using TOPAS-nBio by calculating stopping power and continuous slowing down approximation (CSDA) range against data from ICRU and SRIM. Further microdosimetric and nanodosimetric calculations were performed to quantify differences against other simulation approaches for low energy Li ions. These calculations were: lineal energy spectra (yf(y) and yd(y)), frequency mean lineal energy yF― , dose mean lineal energy yD― and ionization cluster size distribution analysis. Microdosimetric calculations were compared against a previous MC study that neglected charge-exchange and excitation processes. Nanodosimetric results were compared against pure ionization scaled cross-sections calculations. Main results. Calculated stopping power differences between ICRU and Geant4-DNA decreased from 33.78% to 6.9%. The CSDA range difference decreased from 621% to 34% when compared against SRIM calculations. Geant4-DNA/TOPAS calculated dose mean lineal energy differed by 128% from the previous Monte Carlo. Ionization cluster size frequency distributions for Li ions differed by 76%–344.11% for 21 keV and 2 MeV respectively. With a decrease in the N 1 within 9% at 10 keV and agreeing after the 100 keV. With the new set of cross-sections being able to better simulate low energy behaviors of Li ions. Significance. This work shows an increase in detail gained from the use of a more complete set of low energy cross-sections which include charge exchange processes. Significant differences to previous simulation results were found at the microdosimetric and nanodosimetric scales that suggest that Li ions cause less ionizations per path length traveled but with more energy deposits. Microdosimetry results suggest that the BNC’s contribution to cellular death may be mainly due to alpha particle production when boron-based drugs are distributed in the cellular membrane and beyond and by Li when it is at the cell cytoplasm regions.

Fast neutron leakage spectra of the EUCLID experiment

Special nuclear material in sub-critical and critical configurations measured in integral experiments are important for validation and adjustment of nuclear data. Many different evaluations of nuclear data exist, and these different evaluations can provide different values for individual cross sections that vary due to the uncertainties in differential experiments or lack of such data. For integral experiments, differences in these individual cross sections can have compensating errors, which lead to the same answer. One example of this is the Jezebel critical assembly, where keff of the system is correctly computed by both ENDF/B-VIII.0 and JEFF-3.3, despite having substantially different underlying evaluated values for specific reactions (such as elastic and inelastic cross sections).To reduce compensating errors in nuclear data, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project has utilized machine learning to design a set of sub-critical and critical experiments. These experiments include slab- and cube-like configurations of 239Pu in the form of the ZPPR plates. Six different responses were measured on a total of thirteen different configurations. One of these responses, the neutron leakage spectrum, was measured using an EJ301D detector. The results of the neutron leakage spectra show good agreement (within 1–2 σ) with the expected spectrum from simulations and will be used in the subsequent nuclear data adjustment done by the EUCLID team.

New rotational rate coefficients computation of the linear NaC3N(X1Σ+) by collision with He(1S) and astrophysical implication

ABSTRACT For a better understanding of the physico-chemistry in the interstellar medium, collisional data are needed. In this work, we provide rate coefficients for the recently detected by Cabezas and collaborators in 2023 sodium cyanoacetylide molecule NaC$_{3}$N($X^{1}\Sigma ^{+}$) induced by collisions with He. A new two-dimensional potential energy surface (2D-PES) is derived by adopting the high-level theory of the explicitly correlated coupled cluster with single, double, and perturbative triple excitations (CCSD(T)-F12) in conjunction with the aug-cc-pVTZ basis sets. Our 2D-PES presents two minima: the global one with a well depth of $-86.58$ cm$^{-1}$ and the second well with a $-47.01$ cm$^{-1}$ depth. This was expected by the Natural Bond Orbital analysis showing two electrophilic zones located on Na and N linked Carbon with respective atomic charges : $+0.96575$ and $+0.28910$. This PES was used to calculate inelastic cross-sections within the framework of the close-coupling theory for total energies $\le 170$ cm$^{-1}$ and $J\le 22$. Using the Maxwell–Boltzmann distribution of kinetic energies, these cross-sections were integrated to generate the collisional (de)-excitation rate coefficients for temperatures below 30 K. In order to estimate the impact of the computed collisional rates, a non-local thermodynamical equilibrium radiative transfer calculation was performed. The new collisional data can allow accurate NaC$_{3}$N abundance determination in the interstellar medium.

Sensitivity to sub-GeV dark matter from cosmic-ray scattering with very-high-energy gamma-ray observatories

Huge efforts have been deployed to detect dark matter (DM) in the GeV-TeV mass range involving various detection techniques, and led to strong constraints in the available parameter space. We compute here the sensitivity to sub-GeV DM that can be probed from the inevitable cosmic-ray scattering onto DM particles populating the Milky Way halo. Inelastic scattering of energetic cosmic rays off DM would produce high-energy gamma rays in the final state, providing a new avenue to probe the poorly-constrained so far sub-GeV dark matter mass range. In this work we derivesensitivity forecasts for the inelastic cosmic-ray proton-DM cross section for current and future very-high-energy gamma-ray observatories such as H.E.S.S., LHAASO, CTA and SWGO in the 100 eV to 100 MeV mass range. These inelastic cross section constraints are converted to the elastic proton-DM cross sectionto highlight further complementarity with cosmological, collider and direct detection searches.The sensitivity computed at 95% confidence level on the elastic cross section reaches ∼2 × 10-32 cm2 for a 100 keV DM mass for H.E.S.S.-like and ∼7 × 10-34 cm2 for a ∼1 keV DM mass for LHAASO. The sensitivity prospects for CTA and a strawman SWGO model reach ∼6 × 10-34 cm2 and ∼4 × 10-35 cm2, for DM masses of 10 keV and 1 keV, respectively. The sensitivity reach of the gamma-ray observatories considered here enables to probe an uncharted region of the DM mass-cross section parameter space.

The impacts of spin–orbit coupling and strain on transverse dynamical spin susceptibility in undoped phosphorene: Kane–Mele model study

We present the behaviors of dynamical transverse spin susceptibilities of undoped phosphorene monolayer using the Green’s function approach in the context of Kane–Mele model Hamiltonian. Such dynamical spin susceptibility is proportional to inelastic cross section of neutron beam from the layer. Specially, the effects of magnetic field and spin–orbit coupling strength on the spin excitation modes of phosphorene monolayer are investigated via calculating correlation function of spin density operators. Our results show the increase of magnetic field leads to move the magnetic excitation energy to higher values. Also, the intensity of peaks in inelastic cross section reduces with increase of magnetic field. We also show that applying both uniaxial and biaxial strains causes to decrease the intensity of peaks in dynamical spin susceptibility. Finally the effects of both compressive and tensile strains on frequency dependence of dynamical spin structure factor of phosphorene layer are studied. Moreover, the frequency positions of spin excitation mode of phosphorene layer have been investigated due to the effects of spin orbit coupling strength in details.

Elastic and Electronically Inelastic Cross Sections for the Scattering of Electrons by Pyrrole.

Integral and differential cross sections for elastic and electronically inelastic electron scattering from the pyrrole molecule are reported. The cross section calculations employed the Schwinger multichannel method with norm-conserving pseudopotentials. The collision dynamics was described according to a model in which up to 209 energetically accessible channels were treated as open. In the elastic channel, calculations carried out in the interval of energies from 0 to 50 eV revealed the presence of four resonances with peaks located at 2.56 eV (π1*), 3.82 eV (π2*), 4.70 eV (σNH*), and between 8.30 and 9.50 eV (σ*) positions which are in good agreement with previous assignments. Moreover, the role of the multichannel coupling effects in obtaining accurate cross sections was evaluated by comparing the present results with theoretical results recently reported in the literature and early measurements performed for elastic electron collisions with furan. Electronic excitation cross sections involving the transitions from ground state to the 13B2, 13A1, 11A2, and 11A1 excited states of pyrrole driven by electron impact are presented for energies from thresholds up to 50 eV and, whenever possible, critically compared with the data available in the literature.

Electron backscattering coefficients for Cr, Co, and Pd solids: A Monte Carlo simulation study

We have calculated electron backscattering coefficients, η(Ep), at primary electron energies Ep of 0.1–100 keV for three elemental and intermediate atomic number solids, Cr, Co and Pd, with an up-to-date Monte Carlo simulation model. A relativistic dielectric functional approach is adopted for the calculation of the electron inelastic cross section, where several different datasets of optical energy loss function (ELF) are adopted. The calculated backscattering coefficient is found to be substantially affected by the ELF, where the influence can be seen to follow the f- and ps-sum rules and the resultant energy dependence of electron inelastic mean free path. To understand the uncertainties involved in a comparison with experimental data both the theoretical uncertainty due to the elastic cross-section model and the experimental systematic error for the contaminated surfaces are investigated. A total of 192 different scattering potentials are employed for the calculation of Mott's electron elastic cross section and this theoretical uncertainty is confirmed to be small. On the other hand, the simulation of contaminated Co and Pd surfaces with several carbonaceous atomic layers can well explain the experimental data. The present results indicate that accurate backscattering coefficient data should be either measured from fully cleaned surfaces or obtained from modern Monte Carlo theoretical calculations involving reliable optical constants data. With the recent progress in the accurate measurement of optical constants by reflection electron energy loss spectroscopy technique, constructing a reliable theoretical database of electron backscattering coefficients for clean surfaces of elemental solids is highly hopeful.

Cross sections and gamma cascades in 77\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^{77}$$\\end{document}Ge needed for background reduction in 0νββ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$0\ u \\beta \\beta $$\\end{document} experiments on 76\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^{76}$$\\end{document}Ge

The compound nucleus model is employed to calculate neutron capture on 76\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^{76}$$\\end{document}Ge and the consecutive γ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\gamma $$\\end{document} decay. Total, inelastic and capture cross sections are compared to experiments in order to restrict model parameters. The respective γ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\gamma $$\\end{document} cascades are analyzed for possible background suppression schemes in future 0νββ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$0\ u \\beta \\beta $$\\end{document} decay searches with germanium detectors. Neutron energies in the range from 0.2 keV to 5 MeV are investigated. The spin dependence of the γ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\gamma $$\\end{document} cascades is proposed to be employed for determining the spin of thermal resonances.

Inelastic Scattering of Dark Matter with Heavy Cosmic Rays

We investigate the impact of inelastic collisions between dark matter (DM) and heavy cosmic ray (CR) nuclei on CR propagation. We approximate the fragmentation cross-sections for DM-CR collisions using collider-measured proton-nuclei scattering cross-sections, allowing us to assess how these collisions affect the spectra of CR boron and carbon. We derive new CR spectra from DM-CR collisions by incorporating their cross-sections into the source terms and solving the diffusion equation for the complete network of reactions involved in generating secondary species. In a specific example with a coupling strength of b χ = 0.1 and a DM mass of m χ = 0.1 GeV, considering a simplified scenario where DM interacts exclusively with oxygen, a notable modification in the boron-to-carbon spectrum due to the DM-CR interaction is observed. Particularly, the peak within the spectrum, spanning from 0.1 to 10 GeV, experiences an enhancement of approximately 1.5 times. However, in a more realistic scenario where DM particles interact with all CRs, this peak can be amplified to twice its original value. Utilizing the latest data from AMS-02 and DAMPE on the boron-to-carbon ratio, we estimate a 95% upper limit for the effective inelastic cross-section of DM-proton as a function of DM mass. Our findings reveal that at m χ ≃ 2 MeV, the effective inelastic cross-section between DM and protons must be less than O(10−32)cm2 .

Impact of Single-Melamine Tautomerization on the Excitation of Molecular Vibrations in Inelastic Electron Tunneling Spectroscopy.

Vibrational quanta of melamine and its tautomer are analyzed at the single-molecule level on Cu(100) with inelastic electron tunneling spectroscopy. The on-surface tautomerization gives rise to markedly different low-energy vibrational spectra of the isomers, as evidenced by a shift in mode energies and a variation in inelastic cross sections. Spatially resolved spectroscopy reveals the maximum signal strength on an orbital nodal plane, excluding resonant inelastic tunneling as the mechanism underlying the quantum excitations. Decreasing the probe-molecule separation down to the formation of a chemical bond between the melamine amino group and the Cu apex atom of the tip leads to a quenched vibrational spectrum with different excitation energies. Density functional and electron transport calculations reproduce the experimental findings and show that the shift in the quantum energies applies to internal molecular bending modes. The simulations moreover suggest that the bond formation represents an efficient manner of tautomerizing the molecule.

Calculations of positron scattering from small molecules

Recently, convergent close-coupling calculations have been completed for positron scattering from the carbon and oxygen atomic targets. These, together with previously completed calculations for atomic hydrogen, are utilized to perform positron scattering calculations for molecular hydrogen (H2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {H}_2$$\\end{document}), molecular oxygen (O2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {O}_2$$\\end{document}), diatomic carbon (C2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {C}_2$$\\end{document}), carbon monoxide (CO), carbon dioxide (CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {CO}_2$$\\end{document}), ozone (O3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {O}_3$$\\end{document}), water (H2O\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {H}_2\\hbox {O}$$\\end{document}), and methane (CH4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {CH}_4$$\\end{document}) through a modified independent atom approach. For these molecules, positronium-formation, direct ionization, electron-loss, elastic, total electronic excitation, total inelastic, and total cross sections are obtained for energies between 0.1 and 5000 eV. There is, in general, good agreement between the current results and past experiments for most transitions, particularly at high energies where this approach is expected to be most accurate.Graphic

Dichotomy of the description of the elastic and electronically inelastic scattering of electrons by methane

The interaction between electrons and methane is studied with a particular focus on describing the dynamics of elastic and electronic excitation processes under the influence of the multichannel coupling effects. Elastic and electronically inelastic integral and differential cross sections are reported. These cross sections were calculated with the Schwinger multichannel method implemented with norm-conserving pseudopotentials within the minimal orbital basis for single-configuration interaction approach with up to 181 open channels. While an excellent agreement with previously published data is found in the elastic channel, the comparisons involving electronic excitation cross sections reveal significant discrepancies. Furthermore, the lack of reliable experimental data regarding the electronically inelastic channels hampers a more detailed analysis of the theoretical results. Additionally, total ionization and total cross sections for electron collisions with methane are also presented. By highlighting the current theoretical challenges in dealing with electron-induced electronic excitation of molecules, we seek to contribute to a deeper understanding of this scattering process and, thus, pave the way for future research.

The local electronic interaction and strain effects on transverse dynamical spin susceptibility of [formula omitted]-graphyne

We present the behaviors of dynamical transverse spin susceptibilities of undoped β-graphyne monolayer using the Green’s function approach in the context of Hubbard model Hamiltonian. Such dynamical spin susceptibility is proportional to inelastic cross section of neutron beam from the layer. Specially, the effects of magnetic field, on-site coulomb repulsion strength and strain parameter on the spin excitation modes of β-graphyne monolayer are investigated via calculating correlation function of transverse components of spin density operators. Our results show the increase of absolute value of compressive strain parameter leads to move the magnetic excitation modes to higher energies. Also the intensity of peaks in inelastic cross section reduces with absolute value of compressive strain parameter. We also show that applying biaxial tensile strain causes to decrease the intensity of peaks in dynamical transverse spin susceptibility. Finally the effects of magnetic field and on-site coulomb repulsion interaction strength on frequency dependence of dynamical spin structure factor of β-graphyne layer are studied. Moreover the frequency positions of spin excitation mode of β-graphyne monolayer have been investigated due to the effects of biaxial strains, applied magnetic field and Hubbard parameter strength in details.