A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL

Lehr, L.; Manz, J.; Miller, William H.

doi:10.1016/s0301-0104(96)00311-4

Cited by 15 publications

(23 citation statements)

References 19 publications

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“…In Figures 3 and 4 we compare our calculations of the angle integrated VE cross sections for CF 3 Cl with the classical theory presented by Lehr et al [10]. Figure 3 shows cross sections for the representative transitions from the initial vibrational state v i = 3 to v f = 4 and 5.…”

Section: Vibrational Excitationmentioning

confidence: 84%

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SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering

Wilde

Gallup

Fabrikant

1999

J. Phys. B: At. Mol. Opt. Phys.

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We apply a semiempirical R-matrix theory to calculations of vibrational excitation and dissociative attachment in the CF 3 Cl molecule for electron energies below about 3 eV. We employ two sets of model parameters corresponding to two different forms of the CF 3 Cl − potential curve. We fi nd that our present, ab initio calculated anion curve gives vibrational excitation and dissociative attachment cross sections in good agreement with experimental measurements. We also compare the results of our theory with those of a recently published classical theory.

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Section: Vibrational Excitationmentioning

confidence: 84%

“…The classical model gives a peak magnitude which is about half that of the R-matrix calculations. This is again due to the different nuclear probability distributions [9,10]. Mann and Linder [2] have estimated the magnitude of this cross section to be about 5 × 10 −16 cm 2 .…”

Section: Vibrational Excitationmentioning

confidence: 98%

SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering

Wilde

Gallup

Fabrikant

1999

J. Phys. B: At. Mol. Opt. Phys.

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“…A strong temperature effect in DA to CF 3 Cl was detected by Hahndorf et al (1994) in the low-energy region (energy width around 0.1 eV). Theoretical calculations have been performed in the classical approximation (Lehr and Miller 1996;Lehr et al, 1997) and by the use of the resonance R-matrix method . Recent ab initio calculations of Beyer et al (2001) combine the R-matrix method with the projection operator technique to treat the vibrational dynamics.…”

Section: A2 Methyl Halides and Related Moleculesmentioning

confidence: 99%

Resonance and Threshold Phenomena in Low-Energy Electron Collisions with Molecules and Clusters

Hotop

Ruf

Allan

et al. 2003

Advances in Atomic, Molecular, and Optical Physics

269

229

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“…in refs. [44,45]. R-matrix propagations have been employed for simulations of electron-molecule scattering and re-scattering, at much smaller energies (in the domain of 1 -100 eV), see e.g.…”

Section: Introductionmentioning

confidence: 99%

Quantum model simulations of attosecond electron diffraction

Baum

Manz

Schild

2010

Sci. China Phys. Mech. Astron.

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Ultrafast diffraction with free attosecond electron pulses promises insight into the four-dimensional motion of charge density in atoms, molecules and condensed matter. Here we consider the quantum dynamics of the electron-electron scattering process on an attosecond time scale. By numerically solving the time-dependent two-electron Schrödinger equation, we investigate the interaction of an incoming keV-range electron wavepacket by the bound electron of an aligned H + 2 molecule, using a one-dimensional model. Our findings reveal the ratio of elastic to inelastic contributions, the role of exchange interaction, and the influence of the molecular electron density to diffraction. Momentum transfer during the scattering process, from the incoming to the bound electron mediated by the nuclei, leaves the bound electron in a state of coherent oscillation with attosecond recurrences. Entanglement causes related state-selective oscillations in the phase shift of the scattered electron. Two scenarios of distinguishable and indistinguishable free and bound electrons yield equivalent results, irrespective of the electronic spins. This suggests to employ the scenario of distinguishable electrons, which is computationally less demanding. Our findings support the possibility of using electron diffraction for imaging the motion of charge density, but also suggest the application of free electron pulses for inducing attosecond dynamics. ultrafast electron diffraction, scattering theory, attosecond dynamics, entanglement, coherence

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A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL

Cited by 15 publications

References 19 publications

SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering

SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering

Resonance and Threshold Phenomena in Low-Energy Electron Collisions with Molecules and Clusters

Quantum model simulations of attosecond electron diffraction

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A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL

Cited by 15 publications

References 19 publications

SemiempiricalR-matrix theory of low energy electron-CF3Cl inelastic scattering

SemiempiricalR-matrix theory of low energy electron-CF3Cl inelastic scattering

Resonance and Threshold Phenomena in Low-Energy Electron Collisions with Molecules and Clusters

Quantum model simulations of attosecond electron diffraction

Contact Info

Product

Resources

About

SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering

SemiempiricalR-matrix theory of low energy electron-CF₃Cl inelastic scattering