Coriolis coupling effects on the initial-state-resolved dynamics of the N(D2)+H2→NH+H reaction

The resonances in H + HLi scattering for nonzero total angular momentum (J > 0) are examined here by a time-dependent wave packet approach employing an ab initio potential energy surface (PES) [Dunne LJ, Murrell JN, Jemmer P, Chem Phys Lett336: 1, 2001] of the system. The resonances are identified by calculating a set of pseudospectra corresponding to the Franck–Condon transition of a hypothetical initial state to the interaction region of the H + HLi PES. The resonances are characterized by calculating their eigenfunctions and linewidth lifetimes. The resonances for J ≠ 0 are discussed in relation to their counterpart for J = 0. The effect of Coriolis coupling on the resonances obtained from the centrifugal sudden approximation for J = 2 and for K = 0,1,2 is examined.

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Coriolis coupling effects in the dynamics of the D(2S) + NH(X3Σ−) → N(4S) + HD(X1Σ g + ) reaction and its kinetic isotope effect

Journal of Mathematical Chemistry ◽

10.1007/s10910-018-0958-6 ◽

2018 ◽

Vol 57 (2) ◽

pp. 465-472

Author(s):

Cui-Xia Yao ◽

Qi-Ying Xia

Keyword(s):

Isotope Effect ◽

Kinetic Isotope Effect ◽

Coriolis Coupling ◽

Coupling Effects ◽

Kinetic Isotope

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Coriolis coupling effects in time-dependent Hartree-Fock calculations of ion-atom collisions

Physical Review A ◽

10.1103/physreva.30.600 ◽

1984 ◽

Vol 30 (1) ◽

pp. 600-603 ◽

Cited By ~ 27

Author(s):

K. R. Sandhya Devi ◽

J. D. Garcia

Keyword(s):

Time Dependent ◽

Coriolis Coupling ◽

Coupling Effects ◽

Hartree Fock

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Coriolis coupling effects in proton-pickup spectroscopic factors from B12

Physical Review C ◽

10.1103/physrevc.103.034307 ◽

2021 ◽

Vol 103 (3) ◽

Author(s):

A. O. Macchiavelli ◽

H. L. Crawford ◽

R. M. Clark ◽

P. Fallon ◽

I. Y. Lee ◽

...

Keyword(s):

Coriolis Coupling ◽

Coupling Effects ◽

Spectroscopic Factors

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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

Chinese Physics B ◽

10.1088/1674-1056/ac3989 ◽

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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