Modified Gaussian Wave Packet Method for Calculating Initial State Wave Functions in Photodissociation-Reference-Cited by-同舟云学术

Modified Gaussian Wave Packet Method for Calculating Initial State Wave Functions in Photodissociation

Published:2018-09-20 Issue:11 Volume:14 Page:5527-5534
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Han Shanyu¹²,Xie Daiqian¹^ORCID,Guo Hua²^ORCID

Affiliation:

1. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China

2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States

Funder

Ministry of Science and Technology of the People's Republic of China

U.S. Department of Energy

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00771

Reference55 articles.

1. Time-dependent quantum-mechanical methods for molecular dynamics

2. Quantum Scattering Calculations on Chemical Reactions

3. Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics

4. Quantum approaches to polyatomic reaction dynamics

5. Recent Advances in Quantum Dynamics of Bimolecular Reactions

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