R-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules
| dc.creator | Tashiro, Motomichi | |
| dc.creator | Morokuma, Keiji | |
| dc.creator | Tennyson, Jonathan | |
| dc.date | 2006-06-14 | |
| dc.date.accessioned | 2026-07-07T12:17:05Z | |
| dc.date.available | 2026-07-07T12:17:05Z | |
| dc.description | Differential cross sections for electron collisions with the O$_2$ molecule in its ground ${X}^{3}Σ_g^-$ state, as well as excited ${a}^{1}Δ_g$ and ${b}^{1}Σ_g^+$ 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$_2$ ${X}^{3}Σ_g^-$, ${a}^{1}Δ_g$ and ${b}^{1}Σ_g^+$ states, electron impact excitation from the ${X}^{3}Σ_g^-$ state to the ${a}^{1}Δ_g$ and ${b}^{1}Σ_g^+$ states as well as '6 eV states' of ${c}^{1}Σ_u^{-}$, ${A'}^{3}Δ_u$ and ${A}^{3}Σ_u^{+}$ states is studied. Differential cross sections for excitation to the '6 eV states' have not been calculated previously. Electron impact excitation to the ${b}^{1}Σ_g^+$ state from the metastable ${a}^{1}Δ_g$ state is also studied. For electron impact excitation from the O$_2$ ${X}^{3}Σ_g^-$ state to the ${b}^{1}Σ_g^+$ 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 ${X}^{3}Σ_g^-$ 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 ${a}^{1}Δ_g$ state to the ${b}^{1}Σ_g^+$ state, our results marginally agree with the experimental data except for the forward scattering direction. | |
| dc.identifier | https://arxiv.org/abs/physics/0606128 | |
| dc.identifier | http://arxiv.org/abs/physics/0606128 | |
| dc.identifier | Phys.Rev.A74:022706,2006 | |
| dc.identifier | doi:10.1103/PhysRevA.74.022706 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/212003 | |
| dc.subject | Chemical Physics | |
| dc.subject | Astrophysics | |
| dc.subject | Atomic Physics | |
| dc.title | R-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules | |
| dc.type | text |