THE QUANTITATIVE PREDICTION AND LIFETIME OF A PRONOUNCED REACTIVE SCATTERING RESONANCE

被引:95
作者
KUPPERMANN, A
WU, YSM
机构
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(95)00655-N
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Accurate three-dimensional quantum mechanical calculations of the differential cross section, timedelay and collision lifetime of the H + D-2(upsilon, j) --> HD(upsilon', j') + D reaction show that the upsilon = j = 0 --> upsilon' = 0, j' = 4 and 5 transitions display pronounced resonances at a total energy of 1.50 eV if the effect of the geometric phase is introduced, but not otherwise. Inclusion of this effect in the neighborhood of this energy is essential. The resonance widths are of the order of 30 meV and their durations of 68 to 164 fs are long compared with the system's translational, vibrational or rotational times of about 10 fs. Experiments are proposed to verify these predictions.
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页码:229 / 240
页数:12
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