Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrödinger Equation in the Time-Dependent Wavepacket Approach-Reference-Cited by-同舟云学术

Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrödinger Equation in the Time-Dependent Wavepacket Approach

Published:2014-10-15 Issue:42 Volume:118 Page:9801-9810
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Wentao¹,Zhang Dong H.¹²,Sun Zhigang¹²

Affiliation:

1. Center for Theoretical and Computational Chemistry and State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

2. Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5074158

Reference68 articles.

1. Accurate quantum calculations for H2+OH→H2O+H: Reaction probabilities, cross sections, and rate constants

2. A Time-Dependent Quantum Dynamical Study of the H + HBr Reaction

3. Quantum stereodynamics of Li + HF reactive collisions: the role of reactants polarization on the differential cross section

4. A four dimensional quantum scattering study of the Cl+CH4⇌HCl+CH3 reaction via spectral transform iteration

5. Quantum dynamics with real wave packets, including application to three-dimensional (J=0)D+H2→HD+H reactive scattering

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