%0 Journal Article %1 Baer1994 %A Baer, M. %A Loesch, H. J. %A Werner, H. J. %A Last, I. %D 1994 %J Chem. Phys. Lett. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 5-6 %P 372–378 %R 10.1016/0009-2614(94)00102-2 %T Integral and differential cross sections for the Li+HF→LiF+H process. A comparison between jzquantum mechanical and experimental results %U http://dx.doi.org/10.1016/0009-2614(94)00102-2 %V 219 %X In this work is presented a detailed quantum mechanical study of the Li+HF(v=0, j)→LiF(v′, j′)+H reaction in the low-energy region 0.001≤Etr≤0.15 eV. The theoretical-numerical treatment was carried out within the inelastic jzapproximation 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≤σ≤0.65 \AA2, which overlap with the measured value (at Etr=0.13 eV) of σ=0.6±0.30 \AA2. © 1994.

@article{Baer1994, abstract = {In this work is presented a detailed quantum mechanical study of the Li+HF(v=0, j)→LiF(v′, j′)+H reaction in the low-energy region 0.001≤Etr≤0.15 eV. The theoretical-numerical treatment was carried out within the inelastic jzapproximation 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≤σ≤0.65 {\AA}2, which overlap with the measured value (at Etr=0.13 eV) of σ=0.6±0.30 {\AA}2. {\textcopyright} 1994.}, added-at = {2019-03-01T15:49:42.000+0100}, author = {Baer, M. and Loesch, H. J. and Werner, H. J. and Last, I.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/272eaca732263158771a3a4647117dfda/theochem}, doi = {10.1016/0009-2614(94)00102-2}, interhash = {f75480225faccc6e8c14c520973c1ab5}, intrahash = {72eaca732263158771a3a4647117dfda}, issn = {00092614}, journal = {Chem. Phys. Lett.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, month = mar, number = {5-6}, pages = {372–378}, timestamp = {2019-03-01T14:49:42.000+0100}, title = {{Integral and differential cross sections for the Li+HF→LiF+H process. A comparison between jzquantum mechanical and experimental results}}, url = {http://dx.doi.org/10.1016/0009-2614(94)00102-2}, volume = 219, year = 1994 }