Tuning Bimolecular Chemical Reactions by Electric Fields

被引:28
|
作者
Tscherbul, Timur V. [1 ,2 ,3 ]
Krems, Roman V. [3 ]
机构
[1] Univ Toronto, Dept Chem, Chem Phys Theory Grp, Toronto, ON M5S 3H6, Canada
[2] Univ Toronto, Ctr Quantum Informat & Quantum Control, Toronto, ON M5S 3H6, Canada
[3] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
HYPERQUANTIZATION ALGORITHM; MOLECULAR-COLLISIONS; ANGULAR-MOMENTUM; F+H-2 REACTION; SCATTERING; RESONANCES; COLD; LIFETIME; MATRIX;
D O I
10.1103/PhysRevLett.115.023201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We develop a theoretical method for solving the quantum mechanical reactive scattering problem in the presence of external fields based on a hyperspherical coordinate description of the reaction complex combined with the total angular momentum representation for collisions in external fields. The method allows us to obtain converged results for the chemical reaction LiF + H -> Li + HF in an electric field. Our calculations demonstrate that, by inducing couplings between states of different total angular momenta, electric fields with magnitudes < 150 kV/cm give rise to resonant scattering and a significant modification of the total reaction probabilities, product state distributions, and the branching ratios for reactive versus inelastic scattering.
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页数:5
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