Independent electron approximation in collisions of nuclei with atoms

Sidorovich, V. A.

doi:10.1088/0022-3700/14/24/016

Cited by 31 publications

(11 citation statements)

References 15 publications

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“…[38][39][40] In particular, if one electron remains in the initial H 2 ϩ molecular orbital 1 g , the H 2 ϩ ion does not dissociate, leading to [38][39][40] In particular, if one electron remains in the initial H 2 ϩ molecular orbital 1 g , the H 2 ϩ ion does not dissociate, leading to…”

Section: B Independent Particle Model Treatmentmentioning

confidence: 99%

Quantum chemistry calculation of excited three center systems: Theoretical study of He2++H2 collisions

Errea

Macías

Méndez

et al. 2003

The Journal of Chemical Physics

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Articles you may be interested inRadiative charge transfer in He+ + H2 collisions in the milli-to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches Close-coupling calculations of single ͑dissociative and nondissociative͒ and double electron capture cross sections in He 2ϩ ϩH 2 collisions in the range of impact energies 0.5-25 keV/amu are presented and compared with experimental data. The calculations have been carried out at the Franck-Condon level and employing both ab initio expansions, in terms of three-center electronic functions, and the independent particle model approximation. We discuss the mechanisms of the processes and the validity limits of these treatments.

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Section: B Independent Particle Model Treatmentmentioning

confidence: 99%

Quantum chemistry calculation of excited three center systems: Theoretical study of He2++H2 collisions

Errea

Macías

Méndez

et al. 2003

The Journal of Chemical Physics

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“…In a previous work [22], we employed the classical trajectory Monte Carlo (CTMC) method to evaluate single-ionization and singlecapture cross sections in H + + H 2 O collisions at energies 25 keV < E < 5 MeV. We used the independent-particle method (IPM) [23][24][25], where the electrons are treated as independent particles that follow trajectories obtained by solving the Hamilton equations with a one-center (isotropic) model potential to describe the interaction between the active electron and the molecular core. Recently, Lüdde et al [26] applied the basis-set-generator method (BGM) to H + + H 2 O collisions, beyond the isotropic electron-core approximation; they have reported electron production and net capture cross sections in good agreement with experiment.…”

Section: Introductionmentioning

confidence: 99%

Classical treatment of ion-H2O collisions with a three-center model potential

et al. 2011

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We present calculations of cross sections for one-and two-electron processes in collisions of H + , He 2+ , and C 6+with water molecules in the framework of the Franck-Condon approximation. We employ an independent-electron method and a classical trajectory Monte Carlo approach. Anisotropy effects related to the structure of the target are explicitly incorporated by using a three-center model potential to describe the electron-H 2 O + interaction. We derive scaling laws with respect to the projectile charge. We also estimate cross sections for molecular fragmentation subsequent to electron removal.

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“…). exp n = 1 n = 2 (×10) n = 3 (×100) n = 4 (×600) n = 5 (×1500) ln(E 1 /R) Making use of (3.14) in the total cross section calcula tion yields (3.15) where (3.16) Integration over Q z in the limit of large p i followed by that over Q ⊥ and b' leads to the following expression: (3.17) where Note that in (3.17) we omitted interference terms, which is equivalent to neglecting the antisymmetriza tion procedure [71].…”

Section: Multiple Ionization Of Noble Gas Atoms By a Fast Electronmentioning

confidence: 99%