Multiconfigurational Hartree-Fock close-coupling ansatz: Application to the argon photoionization cross section and delays

Carette, Thomas; Dahlström, Jan Marcus; Argenti, Luca; Lindroth, Eva

doi:10.1103/physreva.87.023420

Cited by 80 publications

(90 citation statements)

References 77 publications

(182 reference statements)

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“…These can have either positive or negative sign, depending on whether the phase jump is positive (+ ) or negative (− ). Photoionization of the Ar 3 electron with one radial node features a Cooper minimum at a photon energy XUV ≈ 45 eV already at the Hartree-Fock-level (Amusia, 1990;Starace, 2006) while strong 3 -3 intershell correlations are responsible for a deep Cooper minimum in the Ar 3 photoionization cross section near 42 eV (Dahlström et al, 2012a;Kheifets, 2013;Carette et al, 2013;Dixit et al, 2013;Dahlström and Lindroth, 2014;Saha et al, 2014). These photon energies are within reach of attosecond XUV pulses and have been investigated by combining an attosecond pulse train with an IR field.…”

Section: Time-resolved Photoionization Of Many-electron Atomsmentioning

confidence: 99%

“…The situation is strikingly different for many-electron atoms. First experiments were performed for rare gas atoms (Schultze et al, 2010;Klünder et al, 2011;Guénot et al, 2012), the results of which have led to a flurry of theoretical investigations (Schultze et al, 2010;Kheifets and Ivanov, 2010;Komninos et al, 2011;Nagele et al, 2011Nagele et al, , 2012Nagele et al, , 2014Baggesen and Madsen, 2011;Zhang and Thumm, 2010;Ivanov and Smirnova, 2011;Dahlström et al, 2012bDahlström et al, , 2013Dahlström et al, , 2012aPazourek et al, 2012a,b;Śpiewanowski and Madsen, 2012;Pazourek et al, 2013;Moore et al, 2011;Carette et al, 2013;Kheifets, 2013;Dixit et al, 2013;Feist et al, 2014;Saha et al, 2014;Wätzel et al, 2015). Yet, satisfactory agreement between theory and experiment is still outstanding and many open questions remain.…”

Section: Time-resolved Photoionization Of Many-electron Atomsmentioning

confidence: 99%

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Attosecond chronoscopy of photoemission

2015

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Recent advances in the generation of well characterized sub-femtosecond laser pulses have opened up unpredicted opportunities for the real-time observation of ultrafast electronic dynamics in matter. Such attosecond chronoscopy allows a novel look at a wide range of fundamental photophysical and photochemical processes in the time domain, including Auger and autoionization processes, photoemission from atoms, molecules, and surfaces, complementing conventional energy-domain spectroscopy. Attosecond chronoscopy raises fundamental conceptual and theoretical questions as which novel information becomes accessible and which dynamical processes can be controlled and steered. These questions are currently a matter of lively debate which we address in this review. We will focus on one prototypical case, the chronoscopy of the photoelectric effect by attosecond streaking. Is photoionization instantaneous or is there a finite response time of the electronic wavefunction to the photoabsorption event? Answers to this question turn out to be far more complex and multi-faceted than initially thought. They touch upon fundamental issues of time and time delay as observables in quantum theory. We review recent progress of our understanding of time-resolved photoemission from atoms, molecules, and solids. We will highlight the unresolved and open questions and we point to future directions aiming at the observation and control of electronic motion in more complex nanoscale structures and in condensed matter.

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Section: Time-resolved Photoionization Of Many-electron Atomsmentioning

confidence: 99%

Section: Time-resolved Photoionization Of Many-electron Atomsmentioning

confidence: 99%

Attosecond chronoscopy of photoemission

2015

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“…Several theoretical methods [4,5,[20][21][22][23][24][25] have been employed to explain experimental 3s − 3p relative delay [4,5] in argon with a diverse range of success. Phase and Wigner-Smith delay calculations by us [25] using the time-dependent local-density approximation (TDLDA) have recently agreed very well with the experiment on argon 3p photorecombination around the 3p CM [16].…”

Section: Introductionmentioning

confidence: 99%

Attosecond delay of xenon4dphotoionization at the giant resonance and Cooper minimum

2016

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A Kohn-Sham time-dependent local-density-functional scheme is utilized to predict attosecond time delays of xenon 4d photoionization that involves the 4d giant dipole resonance and Cooper minimum. The fundamental effect of electron correlations to uniquely determine the delay at both regions is demonstrated. In particular, for the giant dipole resonance, the delay underpins strong collective effect, emulating the recent prediction at C60 giant plasmon resonance [T. Barillot et al, Phys. Rev. A 91, 033413 (2015)]. For the Cooper minimum, a qualitative similarity with a photorecombination experiment near argon 3p minimum [S. B. Schoun et al., Phys. Rev. Lett. 112, 153001 (2014)] is found. The result should encourage attosecond measurements of Xe 4d photoemission.

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“…Theoretical methods (e.g. time-dependent nonperturbative method [8], diagrammatic many-body perturbation theory [13], Random phase approximation with exchange (RPAE) [14,16], and multi-configurational Hartree-Fock (MCHF) [17]) have been employed to investigate this relative delay in Ar, although agreements between theory and experiment is rather inconclusive. A ubiquitous understanding in all these studies is the dominant influence of electron correlations to determine the time behavior of outgoing electrons.…”

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confidence: 99%

Time Delay in the Recoiling Valence Photoemission of Ar Endohedrally Confined inC60

2013

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The effects of confinement and electron correlations on the relative time delay between the 3s and 3p photoemissions of Ar confined endohedrally in C60 are investigated using the time dependent local density approximation -a method that is also found to mostly agree with recent time delay measurements between the 3s and 3p subshells in atomic Ar. At energies in the neighborhood of 3p Cooper minimum, correlations with C60 electrons are found to induce opposite temporal effects in the emission of Ar 3p hybridized symmetrically versus that of Ar 3p hybridized antisymmetrically with C60. A recoil-type interaction model mediated by the confinement is found to best describe the phenomenon.PACS numbers: 32.80. Fb,With the tremendous advancement in technology for generating attosecond (as) isolated pulses as well as attosecond pulse trains, it becomes possible to study fundamental phenomena of light-matter interaction with unprecedented precision on an as timescale [1][2][3]. In particular, the relative time delay between the photoelectrons from different subshells on as timescale, a subject of intense recent activities, is expected to probe important aspects of electron correlations that predominantly influence the photoelectron. Pump-probe experiments have been performed to measure the relative delay in the photoemission processes, where extreme ultra-violet (XUV) pulses are used to remove an electron from a particular subshell and subsequently a weak infrared (IR) pulse accesses the temporal information of the emission event [4].Streaking measurements were carried out to probe photoemission from the valence and the conduction band in single-crystalline magnesium [5] and tungsten [6]. A streaking technique was also employed to measure the relative delay of approximately 21±5 as between the 2s and 2p subshells of atomic Ne at 106 eV photon energy [7]. Despite several theoretical attempts [8][9][10][11][12][13][14] to explain this measured delay in Ne, only about a half of the delay could be reproduced, keeping the time delay in Ne photoemissions still an open problem. Recently, the relative delay between the 3s and 3p subshells in Ar is measured at three photon energies by interferometric technique using attosecond pulses [15,16]. Theoretical methods (e.g. time-dependent nonperturbative method [8], diagrammatic many-body perturbation theory [13], Random phase approximation with exchange (RPAE) [14,16], and multi-configurational Hartree-Fock (MCHF) [17]) have been employed to investigate this relative delay in Ar, although agreements between theory and experiment is rather inconclusive. A ubiquitous understanding in all these studies is the dominant influence of electron correlations to determine the time behavior of outgoing electrons. Thus, it is fair to expect that the process near a Cooper minimum or a resonance will be particularly nuanced.It is therefore of spontaneous interest to extend the study to test the effect of correlations on the temporal photoresponse of atoms in material confinements. A brilliant natura...

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Multiconfigurational Hartree-Fock close-coupling ansatz: Application to the argon photoionization cross section and delays

Cited by 80 publications

References 77 publications

Attosecond chronoscopy of photoemission

Attosecond chronoscopy of photoemission

Attosecond delay of xenon4dphotoionization at the giant resonance and Cooper minimum

Time Delay in the Recoiling Valence Photoemission of Ar Endohedrally Confined inC60

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