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Study of electron collision from bioalcohols from 10 to 5000 eV

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Abstract

The electron-impact cross sections are obtained for alkyl bioalcohols in the energy range from ionization threshold to 5000 eV. The molecular wavefunction of targets are obtained from the multi-centre expansion of the Gaussian-type orbitals within a single determinant Hartree–Fock self consistent field scheme. The three dimensional molecular quantities like wavefunction, density and potentials are expanded at the centre of mass of molecule using the Single Centre Expansion formalism. The interaction potential is assumed to be local in nature and is approximated by static, correlation-polarization and exchange effects. The elastic cross sections are obtained after solving the coupled integro-radial differential equations using Volterra integral form. The inelastic ionization cross sections are computed by Binary-Encounter-Bethe method. The total cross sections are obtained after summing the elastic and inelastic cross sections incoherently. The scattering calculations were also performed for glycerol and phenol. The cross sections obtained from present methodology are in good agreement with available results. The study of e− scattering from different targets has helped in expressing a relationship between the total cross section of two different targets in a most simple but effective way.

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Authors and Affiliations

  1. Bhaskaracharya College of Applied Sciences, University of Delhi, New Delhi, 110075, India

    Anand Bharadvaja

  2. Department of Physics, SGTB Khalsa College, University of Delhi, Delhi, 110007, India

    Savinder Kaur

  3. formerly at Department of Physics and Astrophysics, University of Delhi, Delhi, 110007, India

    Kasturi L. Baluja

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  1. Anand Bharadvaja
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Bharadvaja, A., Kaur, S. & Baluja, K.L. Study of electron collision from bioalcohols from 10 to 5000 eV. Eur. Phys. J. D 73, 251 (2019). https://doi.org/10.1140/epjd/e2019-100424-9

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