Theoretical calculations of the total and ionization cross sections for electron impact on some simple biomolecules

Vinodkumar, Minaxi; Joshipura, K. N.; Limbachiya, Chetan; Mason, Nigel J.

doi:10.1103/physreva.74.022721

Cited by 59 publications

(52 citation statements)

References 31 publications

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“…The spherically averaged molecular charge density ρ(r) is determined from the constituent atomic charge density using the Hartree-Fock wave functions of Bunge et al [31]. The molecular charge density ρ(r) so obtained is renormalized to incorporate the covalent bonding [35]. In the SCOP method, the spherical part of the complex optical potential is treated exactly in a partial-wave analysis to yield various cross sections [15].…”

Section: High-energy Formalismmentioning

confidence: 99%

Computation of electron-impact rotationally elastic total cross sections for methanol over an extensive range of impact energy (0.1 – 2000 eV)

Vinodkumar¹,

Limbachiya²,

Barot³

et al. 2013

Phys. Rev. A

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Theoretical rotationally elastic total cross sections for electron scattering from methanol over the incident energy range 0.1-2000 eV are presented. The computation of such cross sections for methanol is reported over such an extended energy range. We have employed two distinct formalisms to compute the cross sections across this energy range; between 0.1 eV and the ionization threshold of the target we have used the ab initio R-matrix method, while at higher energies the spherical complex optical potential method is invoked. The results from both formalisms match quite well at energies where they overlap and hence imply that they are consistent with each other. These total cross-section results are also in very good agreement with available experimental data and earlier theoretical data. The composite methodology employed here is well established and can be used to predict cross sections for other targets where data is scarce or not available.

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Section: High-energy Formalismmentioning

confidence: 99%

Computation of electron-impact rotationally elastic total cross sections for methanol over an extensive range of impact energy (0.1 – 2000 eV)

Vinodkumar¹,

Limbachiya²,

Barot³

et al. 2013

Phys. Rev. A

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“…The results are presented in Figure 2 and are listed in Table 1. The figure also shows theoretical predictions available in literature [33][34][35]. Additionally, within measured energy range we are able to include an experimental point of Pilling et al [32] at 70 eV.…”

Section: Total Ionization Cross Sectionsmentioning

confidence: 64%

“…Also, different methods employed by Vinodkumar et al [33,34] predict considerably greater values of the TICS. At 70 eV the Spherical Complex Optical Potential formalism (SCOP) overestimates the TICS by 89%, whereas the Improved Complex Scattering Potential-ionization contribution (ICSP-ic) method is greater by 21%.…”

Section: Total Ionization Cross Sectionsmentioning

confidence: 97%

“…After passing the effective flight path of 0.95 m ions were detected onto a 4 cm in diameter Photonics MCP detector in a Chevron configuration. [32]; theoretical data: (− · −) using BEB method and (· · ·) using ICSP-ic method by Vinodkumar et al [34], (•) Możejko [35], (− − −) Vinodkumar et al [33]. In the top left corner a schematic of the FA molecule.…”

Section: The Relative Partial Ionization Cross Sectionsmentioning

confidence: 99%

“…Electron impact ionization cross sections for FA were calculated using different theoretical approaches. Vinodkumar et al [33] presented theoretical calculations of the total ionization cross sections for electron impact on FA using a multicenter group additivity rule for impact energies of 15-2000 eV. The same group performed calculations employing an Improved Complex Scattering Potential-ionization contribution (ICSP-ic) to obtain ionization cross sections from total inelastic cross sections for energies ranging from 10 eV to 5000 eV incorporating the binary-encounter-Bethe model (BEB) in the same energy range [34].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Electron-impact ionization cross section of formic acid

Zawadzki

2018

Eur. Phys. J. D

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Abstract. Experimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron-impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass Spectrom. Ion Process. 66, 271 (1985)] to 76 eV using a total cross section of 4.0Å 2 at 70 eV for the total ion collection method. In the spectrometric method the four main cations COH + , HCOOH + , COOH + and CO + are found to contribute to about 97% of the total ionization cross section.

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High-Resolution Electron Energy Loss Spectroscopy: Absolute Cross Section Measurements for Low Energy Electron Scattering from Biomolecules

Lemelin

Sanche

2019

Radiation in Bioanalysis

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Theoretical calculations of the total and ionization cross sections for electron impact on some simple biomolecules

Cited by 59 publications

References 31 publications

Computation of electron-impact rotationally elastic total cross sections for methanol over an extensive range of impact energy (0.1 – 2000 eV)

Computation of electron-impact rotationally elastic total cross sections for methanol over an extensive range of impact energy (0.1 – 2000 eV)

Electron-impact ionization cross section of formic acid

High-Resolution Electron Energy Loss Spectroscopy: Absolute Cross Section Measurements for Low Energy Electron Scattering from Biomolecules

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