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A study of electron scattering from O\(_3\) and its isovalent molecules from 0.1 to 5 keV

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Abstract

The electron scatterings from isovalent molecules like O\(_3\), S\(_3\), OSO and SOS are studied using single centre expansion (SCE) approximation. The elastic differential cross-sections, integral and momentum transfer cross-sections are computed for these targets from ionisation threshold to 5 keV. The molecular wave functions of the targets were obtained from the multicentre expansion of the Gaussian-type orbitals within the single determinant Hartree–Fock self-consistent field scheme. The multipole expansion of the target at the centre of mass includes the dipole and quadrupole terms. The target interactions are modelled within the local potential approximation and consist of static, correlation-polarisation and exchange effects. The results are in good agreement with the available experimental and theoretical results. The SCE results match smoothly near the ionisation threshold with the ab-initio R-matrix results. This helped in estimating the scattering cross-section data from 0.1 to 5 keV energy. The total cross-sections obtained by summing the elastic and inelastic cross-sections are also in excellent agreement with the available results. The scattering study from isovalent molecules further helped in understanding the effects of dipole moment, polarisation and geometrical size while evaluating the collision problem.

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Acknowledgements

The author AB is thankful to Prof. Robert Lucchese, Department of Chemistry, Texas AM University for his guidance on single centre expansion method and to Dr Fernando R Clemente, Gaussian Inc for giving useful insights about GAUSSIAN-16 during the workshop held in New Delhi from January 8 to 12, 2018.

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Authors and Affiliations

  1. Department of Physics, Bhaskaracharya College of Applied Sciences (University of Delhi), New Delhi, 110 075, India

    Anand Bharadvaja

  2. Department of Physics, SGTB Khalsa College, University of Delhi, Delhi, 110 007, India

    Savinder Kaur

  3. Department of Physics and Astrophysics, University of Delhi, Delhi, 110 007, India

    Kasturi Lal Baluja

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  1. Anand Bharadvaja
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Correspondence to Anand Bharadvaja.

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Bharadvaja, A., Kaur, S. & Baluja, K.L. A study of electron scattering from O\(_3\) and its isovalent molecules from 0.1 to 5 keV. Pramana - J Phys 95, 167 (2021). https://doi.org/10.1007/s12043-021-02202-0

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  • DOI: https://doi.org/10.1007/s12043-021-02202-0

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