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Numerical Analysis and Scientific Computing

Series

2015

Molecules

Articles 1 - 2 of 2

Full-Text Articles in Physics

Comparison Of Experimental And Theoretical Electron-Impact-Ionization Triple-Differential Cross Sections For Ethane, Esam Ali, Kate Nixon, Andrw Murray, Chuangang Ning, James Colgan, Don H. Madison Oct 2015

Comparison Of Experimental And Theoretical Electron-Impact-Ionization Triple-Differential Cross Sections For Ethane, Esam Ali, Kate Nixon, Andrw Murray, Chuangang Ning, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

We have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei (H2O, NH3, CH4). All of these molecules have ten electrons; however, they vary in their molecular symmetry. We found that the triple-differential cross sections (TDCSs) for the highest occupied molecular orbitals (HOMOs) were similar, as was the character of the HOMO orbitals which had a p-type "peanut" shape. In this work, we examine ethane (C2H6) which is a molecule that has two large atoms surrounded by H nuclei, so that …


Interference Effects For Intermediate Energy Electron-Impact Ionization Of H₂ And N₂ Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, Mevlut Dogan Jul 2015

Interference Effects For Intermediate Energy Electron-Impact Ionization Of H₂ And N₂ Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, Mevlut Dogan

Physics Faculty Research & Creative Works

We have studied electron impact ionization of H2 and N2 molecules at intermediate energies to look for possible two center interference effects experimentally and theoretically. Here we report a study of the interference factor I for 250 eV electron-impact ionization. The experimental measurements are performed using a crossed-beam-type electron-electron coincidence spectrometer and theoretical calculations are obtained using the Molecular Three Body Distorted Wave Approximation (M3DW). We found that the I-factor demonstrated strong evidence for two-center interference effects for both H2 and N2. We also found that the I-factor is more sensitive to projectile angular scans …