Ultra-fast laser pulses as a probe of electron dynamics: a next generation QTAIM perspective

Huan He; Xiao Peng Mi; Xinjie Zhou; Genwei Hong; Tianlv Xu; Herbert Früchtl; Tanja van Mourik; Martin J. Paterson; Steven R. Kirk; Samantha Jenkins

doi:10.1016/j.cplett.2023.141018

Ultra-fast laser pulses as a probe of electron dynamics: a next generation QTAIM perspective

Huan He, Xiao Peng Mi, Xinjie Zhou, Genwei Hong, Tianlv Xu, Herbert Früchtl, Tanja van Mourik, Martin J. Paterson, Steven R. Kirk^*, Samantha Jenkins^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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Abstract

We investigate the construction of an ultra-fast laser probe to determine the response of the electron dynamics of ethane using next generation QTAIM (NG-QTAIM). This is undertaken by applying a pair of simulated left and right circularly polarized ultra-fast laser pulses of duration 10 fs. A proportional increase in the C-C BCP bond strain with peak electric field was discovered. NG-QTAIM was used to identify a characteristic morphology associated with ultra-fast laser probes. Candidate ultra-fast laser probes were selected on the basis of the ground state population remaining undisturbed at a time t = 15 fs.

Original language	English
Article number	141018
Journal	Chemical Physics Letters
Volume	835
Early online date	8 Dec 2023
DOIs	https://doi.org/10.1016/j.cplett.2023.141018
Publication status	Published - 16 Jan 2024

Keywords

Ultra-fast laser
NG-QTAIM
Ethane
Laser probe
Circularly polarized laser

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10.1016/j.cplett.2023.141018

He_2023_CPL_Ultra-fastlaserpulses_AAM
Copyright © 2023 the Authors. This work has been made available online in accordance with the University of St Andrews Open Access policy. This accepted manuscript is distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. If material is not included in the article's Creative Commons licence 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. The final published version of this work is available at https://doi.org/10.1016/j.cplett.2023.141018
Accepted author manuscript, 945 KBLicence: CC BY
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Cite this

@article{9d6fa928301d480a97f52ecd1179332d,

title = "Ultra-fast laser pulses as a probe of electron dynamics: a next generation QTAIM perspective",

abstract = "We investigate the construction of an ultra-fast laser probe to determine the response of the electron dynamics of ethane using next generation QTAIM (NG-QTAIM). This is undertaken by applying a pair of simulated left and right circularly polarized ultra-fast laser pulses of duration 10 fs. A proportional increase in the C-C BCP bond strain with peak electric field was discovered. NG-QTAIM was used to identify a characteristic morphology associated with ultra-fast laser probes. Candidate ultra-fast laser probes were selected on the basis of the ground state population remaining undisturbed at a time t = 15 fs.",

keywords = "Ultra-fast laser, NG-QTAIM, Ethane, Laser probe, Circularly polarized laser",

author = "Huan He and {Peng Mi}, Xiao and Xinjie Zhou and Genwei Hong and Tianlv Xu and Herbert Fr{\"u}chtl and {van Mourik}, Tanja and Paterson, {Martin J.} and Kirk, {Steven R.} and Samantha Jenkins",

note = "The Hunan Natural Science Foundation of China project gratefully acknowledged approval number: 2022JJ30029. The One Hundred Talents Foundation of Hunan Province is also gratefully acknowledged for the support of S.J. and S.R.K. MJP thanks the EPSRC for funding through grants EP/T021675 and EP/V006746.",

year = "2024",

month = jan,

day = "16",

doi = "10.1016/j.cplett.2023.141018",

language = "English",

volume = "835",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier Science BV",

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TY - JOUR

T1 - Ultra-fast laser pulses as a probe of electron dynamics

T2 - a next generation QTAIM perspective

AU - He, Huan

AU - Peng Mi, Xiao

AU - Zhou, Xinjie

AU - Hong, Genwei

AU - Xu, Tianlv

AU - Früchtl, Herbert

AU - van Mourik, Tanja

AU - Paterson, Martin J.

AU - Kirk, Steven R.

AU - Jenkins, Samantha

N1 - The Hunan Natural Science Foundation of China project gratefully acknowledged approval number: 2022JJ30029. The One Hundred Talents Foundation of Hunan Province is also gratefully acknowledged for the support of S.J. and S.R.K. MJP thanks the EPSRC for funding through grants EP/T021675 and EP/V006746.

PY - 2024/1/16

Y1 - 2024/1/16

N2 - We investigate the construction of an ultra-fast laser probe to determine the response of the electron dynamics of ethane using next generation QTAIM (NG-QTAIM). This is undertaken by applying a pair of simulated left and right circularly polarized ultra-fast laser pulses of duration 10 fs. A proportional increase in the C-C BCP bond strain with peak electric field was discovered. NG-QTAIM was used to identify a characteristic morphology associated with ultra-fast laser probes. Candidate ultra-fast laser probes were selected on the basis of the ground state population remaining undisturbed at a time t = 15 fs.

AB - We investigate the construction of an ultra-fast laser probe to determine the response of the electron dynamics of ethane using next generation QTAIM (NG-QTAIM). This is undertaken by applying a pair of simulated left and right circularly polarized ultra-fast laser pulses of duration 10 fs. A proportional increase in the C-C BCP bond strain with peak electric field was discovered. NG-QTAIM was used to identify a characteristic morphology associated with ultra-fast laser probes. Candidate ultra-fast laser probes were selected on the basis of the ground state population remaining undisturbed at a time t = 15 fs.

KW - Ultra-fast laser

KW - NG-QTAIM

KW - Ethane

KW - Laser probe

KW - Circularly polarized laser

U2 - 10.1016/j.cplett.2023.141018

DO - 10.1016/j.cplett.2023.141018

M3 - Article

SN - 0009-2614

VL - 835

JO - Chemical Physics Letters

JF - Chemical Physics Letters

M1 - 141018

ER -

Ultra-fast laser pulses as a probe of electron dynamics: a next generation QTAIM perspective

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Keywords

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