INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS FOR THE LI+HF-]LIF+H PROCESS - A COMPARISON BETWEEN JZ QUANTUM-MECHANICAL AND EXPERIMENTAL RESULTS

被引:22
作者
BAER, M
LOESCH, HJ
WERNER, HJ
LAST, I
机构
[1] UNIV BIELEFELD,DEPT CHEM,W-4800 BIELEFELD,GERMANY
[2] SOREQ NUCL RES CTR,DEPT PHYS & APPL MATH,IL-70600 YAVNE,ISRAEL
关键词
D O I
10.1016/0009-2614(94)00102-2
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
In this work is presented a detailed quantum mechanical study of the Li+HF(nu = 0,j) --> LiF(nu',j')+H reaction in the low-energy region 0.001 less-than-or-equal-to E(tr) less-than-or-equal-to 0.15 eV. The theoretical-numerical treatment was carried out within the inelastic j(z) approximation coupled with negative imaginary potentials (to form absorbing boundary conditions) to account for the reactivity of the system. Integral and differential state-to-state cross sections were calculated and compared with experiment and other calculations. As for the experiments, (a) the theoretical treatment approximately reproduced the laboratory measured differential cross sections and (b) produced integral cross sections in the range 0.30 less-than-or-equal-to sigma less-than-or-equal-to 0.65 angstrom2, which overlap with the measured value (at E(tr) = 0.13 eV) of sigma = 0.6 +/- 0.30 angstrom2.
引用
收藏
页码:372 / 378
页数:7
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