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

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

1 Citation (Scopus)

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	6 Dec 2023
DOIs	https://doi.org/10.1016/j.cplett.2023.141018
Publication status	Published - 16 Jan 2024

Keywords

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

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2023.141018

Cite this

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

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

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T1 - Ultra-fast laser pulses as a probe of electron dynamics: A next generation QTAIM perspective

AU - He, Huan

AU - Mi, Xiao Peng

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

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 - Circularly polarized laser

KW - Ethane

KW - Laser probe

KW - NG-QTAIM

KW - Ultra-fast laser

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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

Abstract

Keywords

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