Articles written in Pramana – Journal of Physics
Volume 89 Issue 2 August 2017 Article ID 0030 Research Article
This systematic study reports various electron impact cross-sections, rate constants and transport properties of $NH_2$ radical in the low-energy limit. The collision study is based on $R$-matrix formalism and involves the use of various scattering models employing different active spaces. Both electron excited inelasticcross-sections and resonances are found influenced by correlation and polarization effects. The non-relativistic molecular bremsstrahlung radiation cross-section for soft photons, binary encounter Bethe model-based ionization cross-sections and a few molecular properties of the target radical are also reported. The present calculations are found to be in agreement with the available results. This theoretical study provides a pathway to understand collision dynamics and generates data required in various fields of applied physics.
Volume 94 All articles Published: 7 May 2020 Article ID 0073 Research Article
The amines are major source of environment pollutants emitted in atmosphere from variousanthropogenic sources. The non-thermal plasma (NTP)-based technology has proved successful in controlling the emitted amines reaching the atmosphere. The efficient NTP reactors rely on accurate electron–molecule collision data. The electron impact cross-sections are thus obtained for a few amines from ionisation threshold to 5000 eV using the single centre expansion (SCE) formalism. Themolecular wave function of each target is obtained from themulticentre expansion of the Gaussian-type orbitals within a single determinant Hartree–Fock self-consistent field scheme. The expansion of wave function, density and potential is carried out at the centre of mass of the molecules. The interaction potential included to model the electron interaction in the target comprises static, correlation polarisation and exchange types of potentials. The elastic cross-sections are obtained after solving the coupled scattering equations using Volterra integral form. The inelastic effects contributing to electron–molecule scatteringare approximated by the ionisation cross-sections. The total cross-sections obtained after summing the elastic and ionisation cross-sections are in good agreement with the available data. We have also tried to explain the effect of polarisation potential on scattering cross-sections. A semiempirical formula based on the spatial extent of the molecule is proposed to estimate the cross-sections for the homologous series of amine molecules.
Volume 95 All articles Published: 9 October 2021 Article ID 0167 Research Article
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
Volume 95, 2021
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