Adiabatic models for the quantum dynamics of surface scattering with lattice effects

Author:

Meng Qingyong1ORCID,Chen Junbo12,Ma Jianxing1,Zhang Xingyu1,Chen Jun34ORCID

Affiliation:

1. Department of Chemistry, Northwestern Polytechnical University, West Youyi Road 127, 710072 Xi'an, China

2. Xi'an Modern Chemistry Research Institute, China North Industries Group Corp., Ltd., East Zhangba Road 168, 710065 Xi'an, China

3. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Yangqiao Road West 155, 350002 Fuzhou, China

4. Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China, Optoelectronic Industry Base at High-tech Zone, 350108 Fuzhou, China

Abstract

We review models for the lattice effects in quantum dynamics calculations on surface scattering, which is important to modeling heterogeneous catalysis for achieving an interpretation of experimental measurements.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Chemistry-Informed Generative Model for Classical Dynamics Simulations;The Journal of Physical Chemistry Letters;2024-01-09

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