TY - JOUR
T1 - Theoretical study on the photofragment branching ratios and anisotropy parameters of ICl in the second absorption band
AU - Matsuoka, Takahide
AU - Yabushita, Satoshi
N1 - Funding Information:
This work has been supported by Grants-in-Aid for Scientific Research funded by MEXT in Japan, and by the MEXT-Supported Program for the Strategic Research Foundation at Private Universities, 2009-2013. The computations were partly carried out using the computer facilities at the Research Center for Computational Science, Okazaki National Institutes.
PY - 2014/1/30
Y1 - 2014/1/30
N2 - Potential energy curves, transition dipole moments, and non-adiabatic coupling terms of the excited states of ICl molecule have been obtained by the spin-orbit configuration interaction method to examine the branching ratios and the anisotropy parameters of the photodissociation process in the second absorption band. The calculation of the branching ratios with the time-dependent coupled Schrödinger equations, including the quantum interference effect between the 0+(III) and 0+(IV) states, shows good agreement with recent experiments, thus resolves the long standing disagreement. The contribution of the quantum interference effect to the photodissociation process is discussed based on a time-dependent perturbation treatment.
AB - Potential energy curves, transition dipole moments, and non-adiabatic coupling terms of the excited states of ICl molecule have been obtained by the spin-orbit configuration interaction method to examine the branching ratios and the anisotropy parameters of the photodissociation process in the second absorption band. The calculation of the branching ratios with the time-dependent coupled Schrödinger equations, including the quantum interference effect between the 0+(III) and 0+(IV) states, shows good agreement with recent experiments, thus resolves the long standing disagreement. The contribution of the quantum interference effect to the photodissociation process is discussed based on a time-dependent perturbation treatment.
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U2 - 10.1016/j.cplett.2013.12.008
DO - 10.1016/j.cplett.2013.12.008
M3 - Article
AN - SCOPUS:84891815576
SN - 0009-2614
VL - 592
SP - 75
EP - 79
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -