dorsal/arxiv
View SchemaR-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules
| Authors | Motomichi Tashiro, Keiji Morokuma, Jonathan Tennyson |
|---|---|
| Categories | |
| ArXiv ID | physics/0606128 |
| URL | https://arxiv.org/abs/physics/0606128 |
| DOI | 10.1103/PhysRevA.74.022706 |
| Journal | Phys.Rev.A74:022706,2006 |
Abstract
Differential cross sections for electron collisions with the O$_2$ molecule in its ground ${X}^{3}\Sigma_g^-$ state, as well as excited ${a}^{1}\Delta_g$ and ${b}^{1}\Sigma_g^+$ states are calculated. As previously, the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals is employed. In additions to elastic scattering of electron with the O$_2$ ${X}^{3}\Sigma_g^-$, ${a}^{1}\Delta_g$ and ${b}^{1}\Sigma_g^+$ states, electron impact excitation from the ${X}^{3}\Sigma_g^-$ state to the ${a}^{1}\Delta_g$ and ${b}^{1}\Sigma_g^+$ states as well as '6 eV states' of ${c}^{1}\Sigma_u^{-}$, ${A'}^{3}\Delta_u$ and ${A}^{3}\Sigma_u^{+}$ states is studied. Differential cross sections for excitation to the '6 eV states' have not been calculated previously. Electron impact excitation to the ${b}^{1}\Sigma_g^+$ state from the metastable ${a}^{1}\Delta_g$ state is also studied. For electron impact excitation from the O$_2$ ${X}^{3}\Sigma_g^-$ state to the ${b}^{1}\Sigma_g^+$ state, our results agree better with the experimental measurements than previous theoretical calculations. Our cross sections show angular behaviour similar to the experimental ones for transitions from the ${X}^{3}\Sigma_g^-$ state to the '6 eV states', although the calculated cross sections are up to a factor two larger at large scattering angles. For the excitation from the ${a}^{1}\Delta_g$ state to the ${b}^{1}\Sigma_g^+$ state, our results marginally agree with the experimental data except for the forward scattering direction.
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"abstract": "Differential cross sections for electron collisions with the O$_2$ molecule\nin its ground ${X}^{3}\\Sigma_g^-$ state, as well as excited ${a}^{1}\\Delta_g$\nand ${b}^{1}\\Sigma_g^+$ states are calculated. As previously, the fixed-bond\nR-matrix method based on state-averaged complete active space SCF orbitals is\nemployed. In additions to elastic scattering of electron with the O$_2$\n${X}^{3}\\Sigma_g^-$, ${a}^{1}\\Delta_g$ and ${b}^{1}\\Sigma_g^+$ states, electron\nimpact excitation from the ${X}^{3}\\Sigma_g^-$ state to the ${a}^{1}\\Delta_g$\nand ${b}^{1}\\Sigma_g^+$ states as well as \u00276 eV states\u0027 of\n${c}^{1}\\Sigma_u^{-}$, ${A\u0027}^{3}\\Delta_u$ and ${A}^{3}\\Sigma_u^{+}$ states is\nstudied. Differential cross sections for excitation to the \u00276 eV states\u0027 have\nnot been calculated previously. Electron impact excitation to the\n${b}^{1}\\Sigma_g^+$ state from the metastable ${a}^{1}\\Delta_g$ state is also\nstudied. For electron impact excitation from the O$_2$ ${X}^{3}\\Sigma_g^-$\nstate to the ${b}^{1}\\Sigma_g^+$ state, our results agree better with the\nexperimental measurements than previous theoretical calculations. Our cross\nsections show angular behaviour similar to the experimental ones for\ntransitions from the ${X}^{3}\\Sigma_g^-$ state to the \u00276 eV states\u0027, although\nthe calculated cross sections are up to a factor two larger at large scattering\nangles. For the excitation from the ${a}^{1}\\Delta_g$ state to the\n${b}^{1}\\Sigma_g^+$ state, our results marginally agree with the experimental\ndata except for the forward scattering direction.",
"arxiv_id": "physics/0606128",
"authors": [
"Motomichi Tashiro",
"Keiji Morokuma",
"Jonathan Tennyson"
],
"categories": [
"physics.chem-ph",
"astro-ph",
"physics.atom-ph"
],
"doi": "10.1103/PhysRevA.74.022706",
"journal_ref": "Phys.Rev.A74:022706,2006",
"title": "R-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules",
"url": "https://arxiv.org/abs/physics/0606128"
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