Quantum and Quasiclassical Dynamics of the ${\rm\bf C}(\bf ^3P)$ + ${\rm\bf H_2}(\bf ^1\Sigma_g^+)$ $\rightarrow$ ${\rm\bf H}(\bf ^2S)$ + ${\rm\bf CH}(\bf ^2\Pi)$ reaction: Coriolis Coupling Effects and Stereodynamics

2021 ◽  
Author(s):  
Dong Liu ◽  
Lulu Zhang ◽  
Juan Zhao ◽  
Qin Zhang ◽  
Yuzhi Song ◽  
...  

Abstract The dynamics of ${\rm\bf C}$ + ${\rm\bf H_2}$ $\rightarrow$ ${\rm\bf H}$ + ${\rm\bf CH}$ reaction is theoretically studied using the quasiclassical trajectory and quantum mechanical wave packet methods. The analysis of reaction probabilities, integral cross sections and rate coefficients reveal the essential coriolis coupling effects in the quantum mechanical wave packet calculations. The calculated polarization-dependent differential cross section, P($\theta_r$) and P($\phi_r$) show that the $\bf j'$ of product rotational angular momentum is not only aligned along the y-axis and the direction of the vector $\bf x+z$, but also strongly oriented along the positive y-axis.

1992 ◽  
Vol 96 (3) ◽  
pp. 2077-2084 ◽  
Author(s):  
Thanh N. Truong ◽  
John J. Tanner ◽  
Piotr Bala ◽  
J. Andrew McCammon ◽  
Donald J. Kouri ◽  
...  

1984 ◽  
Vol 62 (6) ◽  
pp. 624-627 ◽  
Author(s):  
S. A. Bruce

The problem of the evolution in time of a quantum mechanical wave packet is restudied. A nondispersive wave packet is constructed considering appropriately the transformation rules associated with conveniently defined inertial reference frames.


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