Quantum Mechanical Wave Packet and Quasiclassical Trajectory Calculations for the Li + H2+Reaction†

2009 ◽  
Vol 113 (52) ◽  
pp. 14657-14663 ◽  
Author(s):  
N. Bulut ◽  
J. F. Castillo ◽  
L. Bañares ◽  
F. J. Aoiz
Keyword(s):  
Wave Packet ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Trajectory Calculations ◽  
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 On using the shifted minimal residual method for quantum-mechanical wave packet simulation

JSIAM Letters ◽  
2019 ◽  
Vol 11 (0) ◽  
pp. 13-16
Author(s):  
Hiroaki Seito ◽  
Takeo Hoshi ◽  
Yusaku Yamamoto
Keyword(s):  
Wave Packet ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Residual Method ◽  
Minimal Residual Method ◽  
Quantum Mechanical Wave Packet ◽  
Minimal Residual

Recurrence statistics of observables in quantum-mechanical wave packet dynamics

2010 ◽  
Vol 90 (5) ◽  
pp. 50001 ◽  
Author(s):  
C. Sudheesh ◽  
S. Lakshmibala ◽  
V. Balakrishnan
Keyword(s):  
Wave Packet ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Wave Packet Dynamics ◽  
Quantum Mechanical Wave Packet ◽  
Recurrence Statistics

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.

Quantum-mechanical wave packet calculation of photoinduced surface reaction: O2/Pt(111)

1997 ◽  
Vol 106 (13) ◽  
pp. 5751-5760 ◽  
Author(s):  
Johan Strömquist ◽  
Shiwu Gao
Keyword(s):  
Wave Packet ◽  
Surface Reaction ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Quantum Mechanical Wave Packet

Unspread wave packet in quantum mechanics

1984 ◽  
Vol 62 (6) ◽  
pp. 624-627 ◽  
Author(s):  
S. A. Bruce
Keyword(s):  
Quantum Mechanics ◽  
Wave Packet ◽  
Reference Frames ◽  
Quantum Mechanical ◽  
Mechanical Wave ◽  
Transformation Rules ◽  
Quantum Mechanical Wave Packet

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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