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CyQuanDyn: coherent phonon-driven quantum dynamics simulaiton toolkit.

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Version 2 2023-07-26, 14:14
Version 1 2023-07-26, 13:49
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posted on 2023-07-26, 14:14 authored by Yongxin YaoYongxin Yao

# CyQuanDyn: Quantum dynamics simulation codes

A collection of codes developed for modelling the phonon-induced carrier pumping in ZrTe$_5$ system. 


## Codes in the collection

* TLS: time-dependent two-orbital spinless fermion Bogoliubov-de Gennes Hamiltonian simulation. 

* TDSE: *ab initio* time-dependent Schrödinger equation simulation of the ZrTe$_5$ system under the periodic modulation of A1g Raman mode. 


## Associated publications

* [1] T. Jiang, P. P. Orth, L. Luo, L.-L. Wang, F. Zhang, C.-Z. Wang, J. Zhao, K.-M. Ho, J. Wang, and Y.-X. Yao, Ab-Initio Simulations of Coherent Phonon-Induced Pumping of Carriers in ZrTe$_5$. [arXiv:2304.08449 (2023).](https://arxiv.org/abs/2304.08449)

Funding

This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames National Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358.

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