MODIFIED VERSION OF THE TRAJECTORY SURFACE LEAKING METHOD FOR DYNAMIC CALCULATIONS ON AUTOIONIZING ATOM DIATOM COLLISION SYSTEMS

被引:11
作者
VOJTIK, J
PAIDAROVA, I
机构
[1] J. Heyrovsky Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences
关键词
D O I
10.1016/0301-0104(91)87131-E
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 modified version of the trajectory surface leaking method for dynamical calculations on autoionizing atom-diatom collision systems is elaborated. The modification is designed so as to account for the most prominent quantum features of the ionization event. Test calculations on He(2 3S)-H-2 are presented. The approach is found to yield an improved picture of the He(2 3S)-H-2 --> [He...H-2+] + e- ionization event, which is consistent with Penning electron spectra measurements. Some implications for future theoretical studies of atom-diatom autoionizing collision systems are outlined.
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页码:67 / 74
页数:8
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