dorsal/arxiv
View SchemaThe dynamical Green's function and an exact optical potential for electron-molecule scattering including nuclear dynamics
| Authors | Joachim Brand, Lorenz S. Cederbaum, Hans-Dieter Meyer |
|---|---|
| Categories | |
| ArXiv ID | physics/9907050 |
| URL | https://arxiv.org/abs/physics/9907050 |
| DOI | 10.1103/PhysRevA.60.2983 |
| Journal | Phys. Rev. A 60, 2983--2999 (1999) |
Abstract
We derive a rigorous optical potential for electron-molecule scattering including the effects of nuclear dynamics by extending the common many-body Green's function approach to optical potentials beyond the fixed-nuclei limit for molecular targets. Our formalism treats the projectile electron and the nuclear motion of the target molecule on the same footing whereby the dynamical optical potential rigorously accounts for the complex many-body nature of the scattering target. One central result of the present work is that the common fixed-nuclei optical potential is a valid adiabatic approximation to the dynamical optical potential even when projectile and nuclear motion are (nonadiabatically) coupled as long as the scattering energy is well below the electronic excitation thresholds of the target. For extremely low projectile velocities, however, when the cross sections are most sensitive to the scattering potential, we expect the influences of the nuclear dynamics on the optical potential to become relevant. For these cases, a systematic way to improve the adiabatic approximation to the dynamical optical potential is presented that yields non-local operators with respect to the nuclear coordinates.
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"abstract": "We derive a rigorous optical potential for electron-molecule scattering\nincluding the effects of nuclear dynamics by extending the common many-body\nGreen\u0027s function approach to optical potentials beyond the fixed-nuclei limit\nfor molecular targets. Our formalism treats the projectile electron and the\nnuclear motion of the target molecule on the same footing whereby the dynamical\noptical potential rigorously accounts for the complex many-body nature of the\nscattering target. One central result of the present work is that the common\nfixed-nuclei optical potential is a valid adiabatic approximation to the\ndynamical optical potential even when projectile and nuclear motion are\n(nonadiabatically) coupled as long as the scattering energy is well below the\nelectronic excitation thresholds of the target. For extremely low projectile\nvelocities, however, when the cross sections are most sensitive to the\nscattering potential, we expect the influences of the nuclear dynamics on the\noptical potential to become relevant. For these cases, a systematic way to\nimprove the adiabatic approximation to the dynamical optical potential is\npresented that yields non-local operators with respect to the nuclear\ncoordinates.",
"arxiv_id": "physics/9907050",
"authors": [
"Joachim Brand",
"Lorenz S. Cederbaum",
"Hans-Dieter Meyer"
],
"categories": [
"physics.chem-ph",
"physics.atm-clus"
],
"doi": "10.1103/PhysRevA.60.2983",
"journal_ref": "Phys. Rev. A 60, 2983--2999 (1999)",
"title": "The dynamical Green\u0027s function and an exact optical potential for electron-molecule scattering including nuclear dynamics",
"url": "https://arxiv.org/abs/physics/9907050"
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