On the local theory of resonant inelastic collisions of slow electrons with carbon dioxide

Kazansky, A K; Sergeeva, L. Yu.

doi:10.1088/0953-4075/27/14/049

Cited by 17 publications

(24 citation statements)

References 36 publications

(24 reference statements)

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“…The results, obtained in [6], have demonstrated that the additional quenching of the one-dimensional 'boomerang' state (which was discussed in [7,8]) arises what was attributed to the wave packet sliding from the 'ridge' of the linear configuration of the intermediate anion. Presently we develop the improved one-dimensional approach which shows definitely that the sliding indeed plays a significant role in the dynamics of the process.…”

Section: Introductionmentioning

confidence: 88%

“…In this section we reiterate the essential notations as they were given in our previous publication [6].…”

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

“…This is due to the quite moderate computational facilities which we can employ for the exact calculations. Actually, the algorithm [6] may be advan-tageously installed in a multiprocessor computer, what can easily lift these restrictions.…”

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

“…(The effect of the molecular rotation in such situation is well known as the Renner effect [9] in the theory of molecular systems.) This implies either consideration of at least three-dimensional system (two bending modes#symmetrical stretch), or substantial change of the algorithm [6]. Besides this significant complication of the dynamical problem, the very opportunity of the local description of such a system is questionable [10].…”

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

“…In this paper we apply the method [6] for accurate calculation of the cross sections for the vibrational (v, 0, 0) states excitation. The results, obtained in [6], have demonstrated that the additional quenching of the one-dimensional 'boomerang' state (which was discussed in [7,8]) arises what was attributed to the wave packet sliding from the 'ridge' of the linear configuration of the intermediate anion.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

A model study of vibrational excitation of carbon dioxide molecule by slow electrons: the role of wave packet sliding from the ridge

Kazansky

Sergeeva

1996

Z Phys D - Atoms, Molecules and Clusters

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The method of an accurate calculation of vibrational excitation cross sections of a two-mode molecule by slow electrons within the framework of the local theory (the 'boomerang' model) is applied for a model study of the excitation of the symmetrical stretching vibrational modes of carbon dioxide in the two-mode approximation (i.e., only the symmetrical stretch and bending modes are included in the consideration). It is shown that the 'boomerang' oscillations in the cross section are strongly suppressed due to the decay of the one-dimensional 'boomerang' state caused by the anion wave packet sliding from the linear configuration ridge. Consequently, the bending motion in CO molecule should to be taken into account even if only the processes without the final bending excitation are considered. A simple quasi one-dimensional model describing the system sliding from the ridge is put forward which treats this phenomenon as a decay of the initial wave packet via the series of diabatic resonant states related to unstable trajectory.

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Section: Introductionmentioning

confidence: 88%

“…In this section we reiterate the essential notations as they were given in our previous publication [6].…”

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

Section: Description Of the 'Boomerang' Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

A model study of vibrational excitation of carbon dioxide molecule by slow electrons: the role of wave packet sliding from the ridge

Kazansky

Sergeeva

1996

Z Phys D - Atoms, Molecules and Clusters

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Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules

Thoss

Domcke²

1998

The Journal of Chemical Physics

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The effect of intramolecular vibrational relaxation in resonant collisions of low-energy electrons with large molecules is investigated. The vibrational relaxation results from the coupling of a few active modes, which are strongly coupled to the electronic degrees of freedom and therefore coherently excited during the formation of the collision complex, to a large number of inactive bath modes. The theory is formulated within the framework of the projection-operator formalism. Starting from a model Hamiltonian which includes all vibrational modes, the bath degrees of freedom are eliminated, using perturbation theory in the system-bath coupling and projection techniques within the bath Hilbert space. The result is an effective-Hamiltonian description of inelastic electron scattering and electron attachment which incorporates vibrational dissipation. In addition, the time-dependent description of resonant electron-molecule scattering is extended to include the possibility of vibrational relaxation in the resonance state. This time-dependent formulation, which is based on the Markovian master equation for the reduced density operator, provides more direct insight into the dynamics of the collision complex. Calculations for simple model systems are performed which yield insight into the characteristic effects of vibrational relaxation on electron scattering and attachment cross sections, as well as on the time-dependent dynamics of shape resonances. In particular, the competition between autodetachment and vibrational relaxation in shape resonances close to threshold is studied in some detail. The inclusion of vibrational relaxation allows us to develop a microscopic dynamical description of the nondissociative capture of low-energy electrons by large molecules.

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Cross Sections for Electron Collisions with the CO2 Molecule and CO2+ Molecular Ion

Song,

Cho,

Karwasz

et al. 2024

Journal of Physical and Chemical Reference Data

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Electron collision cross section data are complied from the literature for electron collisions with the carbon dioxide molecule, CO2 and the CO2+ ion. Cross sections are collected and reviewed for total scattering, elastic scattering, momentum transfer, rotational excitation, vibrational excitation, electronic excitation, dissociative processes and ionization. The literature has been surveyed up to the end 2023. For each of these processes, the recommended values of the cross sections are presented with an estimated uncertainty.

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On the local theory of resonant inelastic collisions of slow electrons with carbon dioxide

Cited by 17 publications

References 36 publications

A model study of vibrational excitation of carbon dioxide molecule by slow electrons: the role of wave packet sliding from the ridge

A model study of vibrational excitation of carbon dioxide molecule by slow electrons: the role of wave packet sliding from the ridge

Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules

Cross Sections for Electron Collisions with the CO2 Molecule and CO2+ Molecular Ion

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