2017
DOI: 10.1063/1.4983690
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A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH

Abstract: A quantitative theoretical study of the dissociative recombination of SH with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves. The off-diagonal elements are related to the electroni… Show more

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Cited by 19 publications
(42 citation statements)
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“…So, SH + is not severely depleted by this process but it is efficiently destroyed through dissociative recombination (DR) with electrons [18]. The results presented in this work have been obtained in the same way as presented in our previous theoretical work [19] by putting in evidence the importance of multi-(excited) core effects. In order to do so, first we took into account only the ground electronic state of the ion core and one dissociative valence state of the neutral (C1 and D1).…”
Section: Multi-core Effects On Dissociative Recombination Of Sh +supporting
confidence: 55%
“…So, SH + is not severely depleted by this process but it is efficiently destroyed through dissociative recombination (DR) with electrons [18]. The results presented in this work have been obtained in the same way as presented in our previous theoretical work [19] by putting in evidence the importance of multi-(excited) core effects. In order to do so, first we took into account only the ground electronic state of the ion core and one dissociative valence state of the neutral (C1 and D1).…”
Section: Multi-core Effects On Dissociative Recombination Of Sh +supporting
confidence: 55%
“…This is probably connected with the fast recombination reactions of the (molecular) ions created after the pulse onset. It is a known fact that the rate of recombination is (almost) inversely proportionally dependent on the electron temperature, see e.g., Figure 9 in [52] showing the rate of recombination of SH + with electrons on the electron energy. The process of recombination then depletes the lower-energetic part of EEDF resulting in a higher T eff .…”
Section: Resultsmentioning
confidence: 99%
“…Among these are Rmatrix theory, 17 the complex Kohn variational method, 18 the quantum defect methods, 19 the interpretation of of spectroscopic data, 20 and the block diagonalization method. 21, 22 3.1. MQDT Calculations.…”
Section: Application To Carbon-based Diatomic Molecular Systemsmentioning
confidence: 99%