A new approach to study electron and positron scattering from acetylene

Mahato, Dibyendu; Sharma, Lalita; Srivastava, Rajesh

doi:10.1016/j.elspec.2021.147118

Cited by 5 publications

(3 citation statements)

References 49 publications

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“…To illustrate these differences, we present in Figure the static ICSs for positron collisions with F atoms from 10 –2 to 10 2 eV. In the context of positron scattering by molecules, we can see in the works of Mahato et al , that averaging the electrostatic potential and the electronic density provides reasonable cross sections for low energy scattering, and the results are in excellent agreement with the experimental data for energies above 10 eV.…”

Section: Resultssupporting

confidence: 68%

Low Energy Positron Scattering by F and F₂

2022

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We have determined integral and differential elastic cross sections for positron scattering with atomic F and F2 molecules from 0.01 to 1000 eV with different theoretical approaches. Higher order polarizabilities were successively considered in the scattering potential, and we observed that the differential and integral cross sections converge only when the pure dipole second hyperpolarization level is taken into account, demonstrating the importance of the hyperpolarization effects on the low energy positron scattering dynamics. Ramsauer structures were found for both targets, and in the particular case of the F atom, the effect of its quadrupole moment proved to be relevant around the position of the Ramsauer minimum, which was determined together with the scattering length for each of the adopted polarization schemes. A relation of these quantities with the matching radius between the correlation and polarization interactions is also discussed. Agreement between the model potential and ab initio cross sections for the lowest level of target polarization is found for F2. Since there is no previous theoretical or experimental determination of cross sections for these targets, we compared the differential cross sections of F2 with experimental data available for N2 and O2 and found reasonable agreement.

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Section: Resultssupporting

confidence: 68%

Low Energy Positron Scattering by F and F₂

2022

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“…We obtain the STO-6G Gaussian wavefunction and its related constants in Equation ( 2) using the GAUSSIAN 16 software with the Hartree-Fock method. The choice of taking the STO-6G basis set of the Gaussian wavefunctions provides quite accurate cross section results as demonstrated in our previous publications [34][35][36]. However, to check the accuracy of the wavefunction, we can compare our obtained ground state energies for CH 4 and SiH 4 molecules with other available reliable calculations.…”

Section: Theoretical Methodologymentioning

confidence: 65%

“…Recently, we successfully applied our analytical static potential approach to study the electron and positron impact elastic scattering from some molecular targets [34][35][36]. In the present work, we extend our method to report the different cross section results for positron scattering from CH 4 and SiH 4 in a wide range of incident positron energies of 1-500 eV.…”

Section: Introductionmentioning

confidence: 94%

Study of Positron Impact Scattering from Methane and Silane Using an Analytically Obtained Static Potential with Correlation Polarization

Mahato

Sharma

Srivastava

2021

Atoms

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A detailed study of positron impact elastic scattering from methane and silane is carried out using a model potential consisting of static and polarization potentials. The static potential for the molecular target is obtained analytically by using accurate Gaussian molecular wavefunctions. The molecular orbitals are expressed as a linear combination of Gaussian atomic orbitals. Along with the analytically obtained static potential, a correlation polarization potential is also added to construct the model potential. Utilizing the model potential, the Schrödinger equation is solved using the partial wave phase shift analysis method, and the scattering amplitude is obtained in terms of the phase shifts. Thereafter, the differential, integrated and total cross sections are calculated. These cross-section results are compared with the previously reported measurements and theoretical calculations.

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Study of electron scattering from $${{\mathrm {CH}}}_{{4}}^{+}$$, $${{\mathrm {NH}}}_{{3}}^{+}$$, $${\mathrm {H}}_{{2}}{\mathrm {O}}^{+}$$, $${{\mathrm {NH}}}_{{4}}^{+}$$ and $${\mathrm {H}}_{{3}}{\mathrm {O}}^{+}$$ molecular ions with an analytic static potential approach

2021

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A detailed study on electron impact elastic scattering from CH + 4 , NH + 3 , H2O + , NH + 4 and H3O + molecular ions is reported for the first time by using an optical model potential method. The static potential of each ion is obtained analytically by representing the molecular ion with Gaussian orbital wave functions. Exchange and polarization potentials are added with the static potential to form an optical model potential. Utilizing this optical model potential, the Dirac equations are solved with the partial wave phase shift analysis method to obtain the scattering amplitudes. The differential cross section results are reported for 10-500 eV incident electron energy range. These results for the different molecular ions are compared with their corresponding neutral molecules.

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A new approach to study electron and positron scattering from acetylene

Cited by 5 publications

References 49 publications

Low Energy Positron Scattering by F and F₂

Low Energy Positron Scattering by F and F₂

Study of Positron Impact Scattering from Methane and Silane Using an Analytically Obtained Static Potential with Correlation Polarization

Study of electron scattering from $${{\mathrm {CH}}}_{{4}}^{+}$$, $${{\mathrm {NH}}}_{{3}}^{+}$$, $${\mathrm {H}}_{{2}}{\mathrm {O}}^{+}$$, $${{\mathrm {NH}}}_{{4}}^{+}$$ and $${\mathrm {H}}_{{3}}{\mathrm {O}}^{+}$$ molecular ions with an analytic static potential approach

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A new approach to study electron and positron scattering from acetylene

Cited by 5 publications

References 49 publications

Low Energy Positron Scattering by F and F2

Low Energy Positron Scattering by F and F2

Study of Positron Impact Scattering from Methane and Silane Using an Analytically Obtained Static Potential with Correlation Polarization

Study of electron scattering from $${{\mathrm {CH}}}_{{4}}^{+}$$, $${{\mathrm {NH}}}_{{3}}^{+}$$, $${\mathrm {H}}_{{2}}{\mathrm {O}}^{+}$$, $${{\mathrm {NH}}}_{{4}}^{+}$$ and $${\mathrm {H}}_{{3}}{\mathrm {O}}^{+}$$ molecular ions with an analytic static potential approach

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Low Energy Positron Scattering by F and F₂

Low Energy Positron Scattering by F and F₂