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Hvizdoš, Dávid ; Forer, Joshua ; Kokoouline, Viatcheslav ; Greene, Chris H ( , The Journal of Chemical Physics)This article presents a method of computing bound state potential curves and autoionizing curves using fixed-nuclei R-matrix data extracted from the Quantemol-N software suite. It is a method based on two related multichannel quantum-defect theory approaches. One is applying bound-state boundary conditions to closed-channel asymptotic solution matrices, and the other is searching for resonance positions via eigenphase shift analysis. We apply the method to the CH molecule to produce dense potential-curve datasets presented as graphs and supplied as tables in the publication supplement.more » « lessFree, publicly-accessible full text available December 14, 2024
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Forer, Joshua ; Hvizdoš, Dávid ; Ayouz, Mehdi ; Greene, Chris H. ; Kokoouline, Viatcheslav ( , Monthly Notices of the Royal Astronomical Society)
ABSTRACT Cross-sections and rate coefficients for rovibronic excitation of the CH+ ion by electron impact and dissociative recombination of CH+ with electrons are evaluated using a theoretical approach combining an R-matrix method and molecular quantum defect theory. The method has been developed and tested, comparing the theoretical results with the data from the recent Cryogenic Storage Ring experiment. The obtained cross-sections and rate coefficients evaluated for temperatures from 1 to 10 000 K could be used for plasma modelling in the interpretation of astrophysical observations and also in the technological applications where the molecular hydrocarbon plasma is present.
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Forer, Joshua ; Kokoouline, Viatcheslav ; Stoecklin, Thierry ( , Physical Review A)
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Forer, Joshua ; Hvizdoš, Dávid ; Jiang, Xianwu ; Ayouz, Mehdi ; Greene, Chris H. ; Kokoouline, Viatcheslav ( , Physical Review A)