QUANTUM RESONANCES AND INTERFERENCE EFFECTS IN THE UV PHOTODISSOCIATION OF AR-HCL

被引:25
作者
GARCIAVELA, A
GERBER, RB
IMRE, DG
VALENTINI, JJ
机构
[1] HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR MOLEC DYNAM,IL-91904 JERUSALEM,ISRAEL
[2] UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
[3] COLUMBIA UNIV,DEPT CHEM,NEW YORK,NY 10027
[4] CSIC,INST MATEMAT & FIS FUNDAMENTAL,E-28006 MADRID,SPAIN
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(93)90033-W
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
A hybrid quantum/semiclassical simulation method is applied to the photodissociation dynamics of HCI in the Ar-HCI cluster. The method treats the hydrogen quantum mechanically, and the heavy atoms by semiclassical wavepackets. The dynamics of the H atoms if found to show resonances where the H atom rattles between the Ar and Cl atoms before leaving. Particularly interesting is the kinetic energy distribution of the H atom which shows a structure of pronounced peaks, associated with the resonance levels, while the absorption spectrum is structureless. The dynamics of the process is discussed.
引用
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页码:473 / 478
页数:6
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