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

H. Yang, K. L. Han, George C Schatz, S. C. Smith, M. Hankel

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number012056
JournalJournal of Physics: Conference Series
Volume185
DOIs
Publication statusPublished - 2009

Fingerprint

electronics
energy
unity
angular momentum

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state. / Yang, H.; Han, K. L.; Schatz, George C; Smith, S. C.; Hankel, M.

In: Journal of Physics: Conference Series, Vol. 185, 012056, 2009.

Research output: Contribution to journalArticle

@article{d163fe8bd29b48f7bcd1743246a1c947,
title = "Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state",
abstract = "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.",
author = "H. Yang and Han, {K. L.} and Schatz, {George C} and Smith, {S. C.} and M. Hankel",
year = "2009",
doi = "10.1088/1742-6596/185/1/012056",
language = "English",
volume = "185",
journal = "Journal of Physics: Conference Series",
issn = "1742-6588",
publisher = "IOP Publishing Ltd.",

}

TY - JOUR

T1 - Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state

AU - Yang, H.

AU - Han, K. L.

AU - Schatz, George C

AU - Smith, S. C.

AU - Hankel, M.

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=73649145149&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=73649145149&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/185/1/012056

DO - 10.1088/1742-6596/185/1/012056

M3 - Article

AN - SCOPUS:73649145149

VL - 185

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

M1 - 012056

ER -