Work

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

Year: 2025

Type: article

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.

Source: Computational Materials Today

DOI: 10.1016/j.commt.2025.100032

Authors: Jia-Xi Zeng, Xin-Zheng Li

Institutions: Peking University, State Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Collaborative Innovation Center of Quantum Matter

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,000

Funders: National Natural Science Foundation of China, Peking University, National Key Research and Development Program of China