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

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

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article

The development and applications of semiclassical initial value representation, a promising tool for tackling quantum dynamics

Jia-Xi Zeng, Xin-Zheng Li
4 citations
Computational Materials Today
Spectroscopy and Quantum Chemical Studies
4.99
article

The development and applications of semiclassical initial value representation, a promising tool for tackling quantum dynamics

Jia-Xi Zeng, Xin-Zheng Li
article en
4 citations

Abstract

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.

Computational Materials TodayVol. 6
National Natural Science Foundation of China, National Key Research and Development Program of China
Openalex Percentile: Top 5%
Spectroscopy and Quantum Chemical Studies
4.99
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