Reactive scattering using efficient time‐dependent quantum mechanical wave packet methods on an L‐shaped grid

1991 ◽  
Vol 94 (11) ◽  
pp. 7098-7105 ◽  
Author(s):  
R. C. Mowrey
Keyword(s):  
Wave Packet ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
Reactive Scattering ◽  
Mechanical Wave ◽  
Quantum Mechanical Wave Packet

A comparative study of time dependent quantum mechanical wave packet evolution methods

1992 ◽  
Vol 96 (3) ◽  
pp. 2077-2084 ◽  
Author(s):  
Thanh N. Truong ◽  
John J. Tanner ◽  
Piotr Bala ◽  
J. Andrew McCammon ◽  
Donald J. Kouri ◽  
...  
Keyword(s):  
Wave Packet ◽  
Comparative Study ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Quantum Mechanical Wave Packet

scholarly journals Time-dependent quantum mechanical wave packet dynamics

2021 ◽  
Author(s):  
Narayanasami Sathyamurthy ◽  
Susanta Mahapatra
Keyword(s):  
Wave Packet ◽  
Exchange Reaction ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Model Study ◽  
Wave Packet Dynamics ◽  
Quantum Mechanical Wave Packet

Starting from a model study of the collinear (H, H2) exchange reaction in 1959, the time-dependent quantum mechanical wave packet (TDQMWP) method has come a long way in dealing with systems as large as Cl + CH4.

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 ◽  
...  
Keyword(s):  
Angular Momentum ◽  
Wave Packet ◽  
Cross Section ◽  
Cross Sections ◽  
Rate Coefficients ◽  
Quantum Mechanical ◽  
Coriolis Coupling ◽  
Coupling Effects ◽  
Mechanical Wave ◽  
Quantum Mechanical Wave Packet

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.

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