Revealing the role of electron-electron correlations by mapping dissociation of highly excited 
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 using ultrashort XUV pulses

Martin, Leigh S.; Bello, Roger Y.; Hogle, Craig W.; Palacios, Alicia; Tong, Xiao-Min; Sanz-Vicario, José Luis; Jahnke, T.; Schöffler, M. S.; Dørner, R.; Weber, Thomas; Martín, Fernando; Kapteyn, Henry C.; Murnane, Margaret M.; Ranitovic, Predrag

doi:10.1103/physreva.97.062508

Cited by 6 publications

(6 citation statements)

References 33 publications

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“…118,124,125 Recent timeresolved experiments and theoretical calculations have also been performed in D 2 in order to visualize the entangled electronnuclear dynamics in excited states of the D + 2 cation. 126 Theory based on the spectral method has also given support to time-resolved experiments that make use of an APT in combination with one or several weak IR fields, [127][128][129] showing that the ratio between dissociative and nondissociative ionization can be manipulated in H 2 and D 2 by just varying the photon energy of the pulses.…”

Section: Attosecond Xuv-pump/ir-probe Spectroscopymentioning

confidence: 99%

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The quantum chemistry of attosecond molecular science

Palacios

Martı́n

2019

WIREs Comput Mol Sci

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With the advent of attosecond light pulses at the beginning of this century, the possibility to perform real-time observations of electron motion in molecules has spurred impressive theoretical developments aimed at providing support and guidance to numerous, but still incipient, experimental efforts devoted to understand chemistry at its ultimate temporal frontier: the attosecond. The first real-time observation of electron dynamics in a relatively large molecule, phenylalanine, was reported in 2014. This would have been difficult without the help of theory, since observations in this emerging field, recently coined attochemistry, are still indirect.While standard Quantum Chemistry methods can describe excited bound-state dynamics, new approaches incorporating scattering theory formalisms are needed to understand the interaction with attosecond pulses. Indeed, due to their short wavelengths, lying in the XUV and X-ray spectral regions, the interaction of such pulses with any molecule inevitably leads to ionization, which requires describing the molecular ionization continuum. Also, because of their short duration (i.e., large bandwidth), ionization is accompanied by the formation of a molecular electronic wave packet (i.e., a coherent superposition of electronic states), which evolves in time and dictates the fate of the molecule at the longer time scales where chemistry shows up. Although much has already been done up to date, current bottlenecks in the field are to account for electron correlations during the ionization process and for the coupled electron and nuclear dynamics that follows. Past and ongoing theoretical efforts are described here along with experimental work towards the solid establishment of attochemistry. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry Theoretical and Physical Chemistry > Spectroscopy K E Y W O R D S attochemistry, attosecond dynamics, molecular dynamics, molecular ionization, ultrafast

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Section: Attosecond Xuv-pump/ir-probe Spectroscopymentioning

confidence: 99%

“…This dependence can only be ignored when the molecules are composed of heavy atoms . Recent time‐resolved experiments and theoretical calculations have also been performed in D 2 in order to visualize the entangled electron–nuclear dynamics in excited states of the

D_{2}^{+}

cation …”

Section: Molecular Attosecond Dynamicsmentioning

confidence: 99%

The quantum chemistry of attosecond molecular science

Palacios

Martı́n

2019

WIREs Comput Mol Sci

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“…The increasing number of applications using APTs makes worth current investments to accomplish XUV conversion with high efficiency [10][11][12][13] and to design In the present manuscript, we investigate the use of a frequency filter as a mean to unravel the coupled electron-nuclear dynamics in an excited (ionized) molecule by suppressing/favoring specific multiphoton absorption paths. We first examine the outcome of realistic XUV APT-pump/ IR-probe schemes employed in previous experimental studies [25][26][27][28] in the hydrogen molecule. In this kind of experiments, identification of the dominant electronic components in the wave packet and interpretation of the complex and tightly coupled electronic and nuclear motions induced by the XUV APT requires accurate theoretical simulations [25][26][27][28] .…”

Section: Introductionmentioning

confidence: 99%

“…We first examine the outcome of realistic XUV APT-pump/ IR-probe schemes employed in previous experimental studies [25][26][27][28] in the hydrogen molecule. In this kind of experiments, identification of the dominant electronic components in the wave packet and interpretation of the complex and tightly coupled electronic and nuclear motions induced by the XUV APT requires accurate theoretical simulations [25][26][27][28] . These previous works already showed that one can switch the electronic components in the pumped wave packet, coherently guiding the associated nuclear dynamics and, thus, altering the molecular vibrations triggered in the neutral.…”

Section: Introductionmentioning

confidence: 99%

Selecting two-photon sequential ionization pathways in H₂ through harmonic filtering

Sopena

Bachau

Catoire

et al. 2021

Phys. Chem. Chem. Phys.

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“…Electron correlation plays an important role in the dynamic processes for a many-body system [1][2][3][4][5][6][7][8][9][10], where the time-dependent characteristic of the electron correlation is hard to be identified because of its attosecond timescale. Until recently, with the development of ultrafast laser technology and attosecond high-harmonic pulses, the investigation of the electron correlation in ultrafast dynamic processes becomes accessible in experiments.…”

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confidence: 99%

Universality of the dynamic characteristic relationship of electron correlation in the two-photon double ionization process of a helium-like system

Li,

Yang,

Chen

et al. 2020

Preprint

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Universality of the dynamic characteristic relationship between the characteristic time t c and the two-electron Coulomb interaction energy V 12 of the ground state in the two-photon double ionization process is investigated through changing the parameters of the two-electron atomic system and the corresponding laser conditions.The numerical results show that the product t c V 12 keeps constant around 4.1 in the cases of changing the nucleus charge, the electron charge, the electron mass, and changing simultaneously the nucleus charge and the electron charge. These results demonstrate that the dynamic characteristic relationship in the two-photon double ionization process is universal. This work sheds more light on the the dynamic characteristic relationship in ultrafast processes and may find its application in the measurement of attosecond pulses.

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Revealing the role of electron-electron correlations by mapping dissociation of highly excited D2+ using ultrashort XUV pulses

Cited by 6 publications

References 33 publications

The quantum chemistry of attosecond molecular science

The quantum chemistry of attosecond molecular science

Selecting two-photon sequential ionization pathways in H₂ through harmonic filtering

Universality of the dynamic characteristic relationship of electron correlation in the two-photon double ionization process of a helium-like system

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Revealing the role of electron-electron correlations by mapping dissociation of highly excited D2+ using ultrashort XUV pulses

Cited by 6 publications

References 33 publications

The quantum chemistry of attosecond molecular science

The quantum chemistry of attosecond molecular science

Selecting two-photon sequential ionization pathways in H2 through harmonic filtering

Universality of the dynamic characteristic relationship of electron correlation in the two-photon double ionization process of a helium-like system

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Product

Resources

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Selecting two-photon sequential ionization pathways in H₂ through harmonic filtering