The development and applications of semiclassical initial value representation, a promising tool for tackling quantum dynamics
In this review we present an overview of the semiclassical initial value representation (SC-IVR) method, which is a powerful and promising tool for studying real-time quantum dynamics. We first introduce the origin, history, and basic ideas of it. Then its developments and applications in recent years are listed and discussed in detail, covering a range of fields including vibrational spectroscopy, correlation functions, reaction rate constants and nonadiabatic dynamics. By exploring and analyzing these different aspects of SC-IVR, we hope to provide a comprehensive foundational introduction and technical guidance for interested readers. We also hope that new inspirations and potential integration with other fields can be stimulated to further extend its applicability.
Authors
- Jia-Xi Zeng (ORCID: https://orcid.org/0000-0001-5852-952X)
- Xin-Zheng Li (ORCID: https://orcid.org/0000-0003-0316-4257)
Publication Details
- Journal
- Computational Materials Today
- Published
- 2025-04-06
- DOI
- https://doi.org/10.1016/j.commt.2025.100032
- Citations
- 4
- Primary Topic
- Spectroscopy and Quantum Chemical Studies
- Type
- article
- Field-Weighted Citation Impact
- 4.99
Funders
- National Natural Science Foundation of China
- National Key Research and Development Program of China