Total cross sections for electron scattering from molecules: NH3 and H2O

Abstract

By developing the semi-empirical formula recently obtained for total cross sections of electron scattering from diatomic molecules in the intermediate-and highenergy range, we calculate the total cross sections for electron scattering from molecules (NH 3 and H 2 O) over an incident energy range of 10-1000 eV. The total cross sections have also been calculated by using the complex optical potential and the additivity rule. Compared with other available experimental and calculating data, excellent agreements have been achieved. The developed semi-empirical formula reflects that total cross sections for electron scattering from NH 3 and H 2 O in the intermediate-and high-energy range quantitatively depend on the bond length.

Calculation of electron-impact rotationally elastic total cross sections for NH3, H2S, and PHLimbachiya1, Vinodkumar2, Mason3 2011Phys. Rev. A363180View full textAdd to dashboardCite

“…Theoretical calculations have been reported by Manjul and Baluja [13] and Gianturco [14], and they agree well with the present results beyond 10 eV, but at lower energies these theoretical data are higher while maintaining the shape of the curve. Liu et al [16] have reported total cross sections using two formalisms: one using an additivity rule that overestimates the cross section below 100 eV as expected and another using a semiempirical formula that is lower compared to all reported data below 30 eV. Both datasets of Liu et al [16] agree well with present results beyond 200 eV.…”

“…Experimental data for low impact energy have also been reported by Szmytkowski et al [22] and agree well with the present results beyond 30 eV, but below this energy the experimental data appear to be higher than calculations. In contrast the experimental data reported by Zecca et al [9] at higher energy are in good agreement [15]; violet dashed-dot line, theoretical data of Liu et al using ADR method [16]; brown dashed-dot-dot line, theoretical data of Liu et al using SEF method [16]; cyan dotted line, theoretical data of Munjal and Baluja [13] using ADR method; dark yellow short dash-dot line, Theoretical data of Gianturco [14].…”

“…Liu et al [16] have reported total cross sections using two formalisms: one using an additivity rule that overestimates the cross section below 100 eV as expected and another using a semiempirical formula that is lower compared to all reported data below 30 eV. Both datasets of Liu et al [16] agree well with present results beyond 200 eV. The theoretical results of Yuan and Zhang [15] are higher compared to all reported data below 100 eV, above which they are in excellent agreement with present results throughout the energy range they report.…”

“…Munjal and Baluja (0.025-20 eV) [13] have reported low-energy elastic cross sections using the R matrix, Gianturco (1-20 eV) [14] has reported total elastic cross sections using ab initio calculations, while Yuan and Zhang have reported total cross sections in the range 0.5-20 eV [15]. Intermediate and high-energy calculations have been reported by Liu et al (10-1000 eV) [16] and Jain (10-3000 eV) [17].…”

Angle-Resolved Electron Scattering from H2O near 0°

“…Jain [33] PHYSICAL REVIEW LETTERS 123, 033401 (2019) 033401-2 spherical complex optical potentials to compute σ T over the energy range of 10-3000 eV, recommending the SEP(CP) a1 model below 100 eV. Liu et al [35] employed a semiempirical formula as well as the complex optical potential and the additivity rule to calculate σ T over an incident energy range of 10-1000 eV, the former being closer to experiment. Okamoto et al [34] calculated vibrational elastic integral and differential cross sections using an ab initio static potential and approximate electron exchange and target polarization.…”