Rotational effects in the dissociative recombination process of H<sub>2</sub><sup>+</sup>+e

Takagi, H.

doi:10.1088/0953-4075/26/24/014

Cited by 60 publications

(48 citation statements)

References 18 publications

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“…The difference is due to the presence of the doubly excited (2p u ) 2 2 character in the F state of molecular hydrogen, implying the importance of the doubly excited curve in the ionization continuum. It is this singlet channel that carries most of the strength of the DR process with low energy electrons, 22,36 in which the singlet 3d-partial wave dominates the DR process.…”

Section: Discussionmentioning

confidence: 99%

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Dinu

Picard

Zande

2004

The Journal of Chemical Physics

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We present single-photon spectroscopy in molecular hydrogen starting from the metastable c 3 ⌸ u Ϫ state to a number of triplet nd-Rydberg states (vϭ0 -4, nϭ12-20). Using fast beam spectroscopy both the autoionization channel and the predissociation channel are quantified, field free, as well as with small electric fields. Coupling with the i 3 ⌸ g state is assumed to be responsible for field-free predissociation of the vϭ0 Rydberg levels. The stronger observed predissociation channel of the vϭ1 Rydberg levels is due to the nonadiabatic interaction with the h 3 ⌺ g ϩ state in combination with l mixing due to an external electric field. No direct evidence is found for possible electric field induced predissociation of the gerade Rydberg states by low lying ungerade states. The competition between autoionization and predissociation is discussed in terms of possible consequences for dissociative recombination involving low energy electron collisions with the H 2 ϩ molecular ion.

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Section: Discussionmentioning

confidence: 99%

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Dinu

Picard

Zande

2004

The Journal of Chemical Physics

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“…In the above equation, H ele (r; R) is the Hamiltonian at fixed nuclei coordinate, and N and J are the angular momentum of the molecular ion and the total system respectively [6]. It is required to solve the scattering problem by the CI with the accuracy beyond the perturbation theory.…”

Section: With the Crossingmentioning

confidence: 99%

Multi-channel quantum defect theory to dissociative recombination with and without electronic resonance scattering

Takagi

Tashiro

2011

J. Phys.: Conf. Ser.

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Abstract. The multichannel quantum defect theory (MQDT) of dissociative recombination (DR) is summarized by classifying into two cases whether an electronic resonance state as the dissociative channel exists or not. The DR and dissociative excitation of the isotopes of hydrogen molecular ion are calculated using recent sophisticated MQDT method where the electronic resonance state exists. On the other hand, an adiabatic quantum defect and a mixing matrix of the partial waves in HeH + + e collisions are investigated. These parameters are crucial in MQDT calculation without electronic resonance state. A new approach is proposed by unifying the two cases in a above MQDT treatment. IntroductionThe mechanism of dissociative recombination (DR) has been considered as a capture process of an incident electron into an electronic resonance state and sequential stabilization by molecular dissociation [1]. This mechanism is possible when there is a potential-curve crossing between the resonance state and the target molecular ionic state at the energy lower than the total energy of collision system. The DR cross section had been considered to be quite small unless the molecular system has such a potential-curve crossing. However, large cross section has been confirmed for the DR of HeH + [2], where there is no potential-curve crossing. Hereafter, we abbreviate 'potential-curve crossing' as 'crossing'.There are two kinds of theoretical approaches depending on whether the crossing exists or not. In the crossing case, the resonance state is the main dissociative channel and the Rydberg states contribute to DR through the indirect process [3], where the incident electron is temporally captured into a rotationally and vibrationally excited Rydberg state. In the non-crossing case, the dissociative channels are the Rydberg states. It is well known that the multichannel quantum defect theory (MQDT) can describe the dynamics by the strong non-adiabatic interactions (NAI) among the Rydberg states [4]. We here summarize and investigate MQDT method for DR with and without the crossing. As an extension of these theories, we shall propose a new approach based on MQDT. Examples will be shown for cases both with and without crossings.

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“…The calculation of DR cross section by the MQDT was given in the previous studies [13,14]. We employed the same electronic parameters as the previous calculation [15,16]: potential curves and the adiabatic quantum defect.…”

Section: Dissociative Recombinationmentioning

confidence: 99%

Dissociative recombination of H⁺₂with slow electrons for a rigorous examination of theory

Takagi¹,

Hara²,

Sato³

2009

J. Phys.: Conf. Ser.

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Abstract. The Lippmann-Schwinger (LS) equation for the K matrix is numerically solved for the collision of H+ 2 + e interacting by the configuration interaction (CI), of which magnitude is carefully deduced from ab-initio calculation of electron scattering. The LS equation is extended to the negative collision energies in the context of multichannel quantum defect theory (MQDT) for the dissociative recombination (DR). Using the MQDT method for the DR, The DR cross section of H + 2 is obtained. It has turned out that the DR at low energy is induced by the indirect process with rotational excitation and the off-the-energy-shell contribution is indispensable for the accurate description. The present calculation represents the recent state specific experiment [1], and has assured the effectiveness of the MQDT method for DR.

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Rotational effects in the dissociative recombination process of H₂⁺+e

Cited by 60 publications

References 18 publications

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Multi-channel quantum defect theory to dissociative recombination with and without electronic resonance scattering

Dissociative recombination of H⁺₂with slow electrons for a rigorous examination of theory

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Rotational effects in the dissociative recombination process of H2++e

Cited by 60 publications

References 18 publications

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Predissociation and autoionization of triplet Rydberg states in molecular hydrogen

Multi-channel quantum defect theory to dissociative recombination with and without electronic resonance scattering

Dissociative recombination of H+2with slow electrons for a rigorous examination of theory

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Rotational effects in the dissociative recombination process of H₂⁺+e

Dissociative recombination of H⁺₂with slow electrons for a rigorous examination of theory