Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes
Author:
Affiliation:
1. Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom
Funder
Research Councils UK
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c06125
Reference81 articles.
1. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
2. Unitary quantum time evolution by iterative Lanczos reduction
3. Time‐dependent self‐consistent field approximation for intramolecular energy transfer. I. Formulation and application to dissociation of van der Waals molecules
4. Theoretical studies on bimolecular reaction dynamics
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