Cargando…

Quantum state tomography of molecules by ultrafast diffraction

Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments capture only the probability density of the nuclear wavepackets to determine the...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Ming, Zhang, Shuqiao, Xiong, Yanwei, Zhang, Hankai, Ischenko, Anatoly A., Vendrell, Oriol, Dong, Xiaolong, Mu, Xiangxu, Centurion, Martin, Xu, Haitan, Miller, R. J. Dwayne, Li, Zheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8440554/
https://www.ncbi.nlm.nih.gov/pubmed/34521840
http://dx.doi.org/10.1038/s41467-021-25770-6
_version_ 1783752700812328960
author Zhang, Ming
Zhang, Shuqiao
Xiong, Yanwei
Zhang, Hankai
Ischenko, Anatoly A.
Vendrell, Oriol
Dong, Xiaolong
Mu, Xiangxu
Centurion, Martin
Xu, Haitan
Miller, R. J. Dwayne
Li, Zheng
author_facet Zhang, Ming
Zhang, Shuqiao
Xiong, Yanwei
Zhang, Hankai
Ischenko, Anatoly A.
Vendrell, Oriol
Dong, Xiaolong
Mu, Xiangxu
Centurion, Martin
Xu, Haitan
Miller, R. J. Dwayne
Li, Zheng
author_sort Zhang, Ming
collection PubMed
description Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments capture only the probability density of the nuclear wavepackets to determine the time-dependent molecular structures, while the full quantum state has not been accessed. Here, we introduce a framework for the preparation and ultrafast coherent diffraction from rotational wave packets of molecules, and we establish a new variant of quantum state tomography for ultrafast electron diffraction to characterize the molecular quantum states. The ability to reconstruct the density matrix, which encodes the amplitude and phase of the wavepacket, for molecules of arbitrary degrees of freedom, will enable the reconstruction of a quantum molecular movie from experimental x-ray or electron diffraction data.
format Online
Article
Text
id pubmed-8440554
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-84405542021-10-04 Quantum state tomography of molecules by ultrafast diffraction Zhang, Ming Zhang, Shuqiao Xiong, Yanwei Zhang, Hankai Ischenko, Anatoly A. Vendrell, Oriol Dong, Xiaolong Mu, Xiangxu Centurion, Martin Xu, Haitan Miller, R. J. Dwayne Li, Zheng Nat Commun Article Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments capture only the probability density of the nuclear wavepackets to determine the time-dependent molecular structures, while the full quantum state has not been accessed. Here, we introduce a framework for the preparation and ultrafast coherent diffraction from rotational wave packets of molecules, and we establish a new variant of quantum state tomography for ultrafast electron diffraction to characterize the molecular quantum states. The ability to reconstruct the density matrix, which encodes the amplitude and phase of the wavepacket, for molecules of arbitrary degrees of freedom, will enable the reconstruction of a quantum molecular movie from experimental x-ray or electron diffraction data. Nature Publishing Group UK 2021-09-14 /pmc/articles/PMC8440554/ /pubmed/34521840 http://dx.doi.org/10.1038/s41467-021-25770-6 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Zhang, Ming
Zhang, Shuqiao
Xiong, Yanwei
Zhang, Hankai
Ischenko, Anatoly A.
Vendrell, Oriol
Dong, Xiaolong
Mu, Xiangxu
Centurion, Martin
Xu, Haitan
Miller, R. J. Dwayne
Li, Zheng
Quantum state tomography of molecules by ultrafast diffraction
title Quantum state tomography of molecules by ultrafast diffraction
title_full Quantum state tomography of molecules by ultrafast diffraction
title_fullStr Quantum state tomography of molecules by ultrafast diffraction
title_full_unstemmed Quantum state tomography of molecules by ultrafast diffraction
title_short Quantum state tomography of molecules by ultrafast diffraction
title_sort quantum state tomography of molecules by ultrafast diffraction
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8440554/
https://www.ncbi.nlm.nih.gov/pubmed/34521840
http://dx.doi.org/10.1038/s41467-021-25770-6
work_keys_str_mv AT zhangming quantumstatetomographyofmoleculesbyultrafastdiffraction
AT zhangshuqiao quantumstatetomographyofmoleculesbyultrafastdiffraction
AT xiongyanwei quantumstatetomographyofmoleculesbyultrafastdiffraction
AT zhanghankai quantumstatetomographyofmoleculesbyultrafastdiffraction
AT ischenkoanatolya quantumstatetomographyofmoleculesbyultrafastdiffraction
AT vendrelloriol quantumstatetomographyofmoleculesbyultrafastdiffraction
AT dongxiaolong quantumstatetomographyofmoleculesbyultrafastdiffraction
AT muxiangxu quantumstatetomographyofmoleculesbyultrafastdiffraction
AT centurionmartin quantumstatetomographyofmoleculesbyultrafastdiffraction
AT xuhaitan quantumstatetomographyofmoleculesbyultrafastdiffraction
AT millerrjdwayne quantumstatetomographyofmoleculesbyultrafastdiffraction
AT lizheng quantumstatetomographyofmoleculesbyultrafastdiffraction