Extracting the Geometric Phase from the Ensemble of Trajectories
Traditionally, methods designed to investigate the effects of the geometric phase in reaction dynamics, such as including a vector potential in the nuclear Hamiltonian, necessitate the explicit manipulation of geometric phase-related terms in the adiabatic representation. In contrast, the diabatic representation provides an alternative approach that implicitly addresses the geometric phase and nonadiabatic issues. In this study, we present a method to directly extract the phase information on the geometric phase from the ensemble of interdependent trajectories utilizing the diabatic representation. This approach presents a direct means of quantitatively examining the geometric phase effects in dynamics and has the potential to yield observables suitable for experimental measurement.
Authors
- Huan Yang (ORCID: https://orcid.org/0000-0003-0874-5907)
- Yujun Zheng (ORCID: https://orcid.org/0000-0001-9974-2917)
Institutions
- Shandong University (CN)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2024-10-22
- DOI
- https://doi.org/10.1021/acs.jpca.4c02013
- Citations
- 2
- Primary Topic
- Spectroscopy and Quantum Chemical Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.68
Funders
- National Natural Science Foundation of China