Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state

We present reaction probabilities and branching ratios for the title reaction calculated employing the real wavepacket approach as implemented in the DIFFREALWAVE code. Calculations for zero total angular momentum (J = 0) and also for some non-zero values, J = 10, 30 and 40 have been carried out inc...

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Veröffentlicht in:Journal of physics. Conference series 2009-09, Vol.185 (1), p.012056
Hauptverfasser: Yang, H, Han, K-L, Schatz, G C, Smith, S C, Hankel, M
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Sprache:eng
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Zusammenfassung:We present reaction probabilities and branching ratios for the title reaction calculated employing the real wavepacket approach as implemented in the DIFFREALWAVE code. Calculations for zero total angular momentum (J = 0) and also for some non-zero values, J = 10, 30 and 40 have been carried out including all Coriolis couplings. These preliminary results predict a branching ratio greater than unity for energies above 0.5 eV total energy while more partial waves are needed to predict the ratio for energies below 0.5 eV.
ISSN:1742-6596
1742-6588
1742-6596
DOI:10.1088/1742-6596/185/1/012056