International workshop on theory for attosecond quantum dynamics (IWTAQD) 29



 Feb 3-5, 2025, supported in part by Toyama U



back to IWTAQD page

Participants
Yasumasa Hikosaka
 		U Toyama FEL/SR experiment, Local organizer
Keisuke Hatada
 		U Toyama
Molecular spectroscopy theory, Local organizer
Hayato Ohashi
 		U Toyama
 AMO physics, Local organizer
Yoshiaki Tamura
 		U Toyama Molecular spectroscopy theory
Kazuki YOSHIKAWA U Toyama - U Camerino: double degree

Shin YASUDA U Toyama

Takumi KURAOKA U Toyama

Ryosuke NITTA U Toyama

Takeshi Odagiri
 		Sophia U
 Molecular spectroscopy experiment
Kennosuke Hoshina
 		Niigata U. of Pharmacy and Medical and Life Sciences

SHIN-ICHI Wada
 		Hiroshima U
 Molecular dynamics
Yin Zhong
 		Tohoku U
 strong field Physics experiment
Akiyoshi Hishikawa Nagoya U Co-Chair, FEL, Molecular dynamics
Akitaka Matsuda Nagoya U Intense laser experiments
Runa Kuroda Nagoya U

Kyoichiro Yasui Nagoya U





Toru Morishita UEC
 Chair
Hiroka Hasegawa
 		UEC Molecular dynamics theory
Saeed Muhammad UEC He dynamics
Yushi Ishida UEC Rescattering processes







Seminar Program (tentative)


Feb 3  (Mon) 2025
Venue: Toyoma
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19:00-21:00 FREE DISCUSSION
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Feb 4  (Tue) 2025
Venue: Conference room in Kuroda Hall, University of Toyama
            Click here for access map
30+10 min or 15+5 min
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9:40-10:10 FREE DISCUSSION
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10:10-10:50  Zhong Yin (Tohoku U)
"Probing ultrafast dynamics with a water window X-ray source"
Abstract:
Light-matter interactions can induce dynamic pathways within complex environments. Understanding these ultrafast, coupled electronic and nuclear dynamics at the molecular level remains a significant challenge.[1] Therefore, current research focuses on developing experimental techniques to observe these processes in real time, creating "molecular movies" that reveal fundamental interactions.[2] This talk presents recent work on probing light-induced dynamics in molecular systems with soft X-ray spectroscopy. X-ray spectroscopy, with its element-, site-, and orbital-specific capabilities, offers unique insights into molecular electronic structures.[3,4] Coupled with a water-window source based on high-harmonic generation, it enables experiments to be performed in a lab environment.[5,7] These advancements open new frontiers for exploring molecular dynamics and environmental effects with high temporal resolution. [8,9]
References
[1] J.R. Dwyer, et al. Philos. Trans. R. Soc. A, 364, 741–778.
[2] C. Bostedt et al, Reviews of Modern Physics 88, 015007 (2016)
[3] T. Fransson et al. Chem. Rev. 116, 7551 (2016)
[4] J.W. Smith et al. Chem. Rev.117, 13909 (2017)
[5] A. D. Smith, et al. J. Phys. Chem. Lett. 11, 1981 (2020)
[6] A.R. Attar et al, Science 356, 54 (2017)
[7] S.M. Teichmann et al, Nat. Comm. 7, 11493 (2016)
[8] Z. Yin et al Nature, 619, 749 (2023)
[9] Y.P. Chang et al Nature Physics, (2024)
https://doi.org/10.1038/s41567-024-02703-w

10:50-11:30 Keisuke Hatada (U Toyama)
"Theoretical studies of photoelectron angular distribution using multiple scattering theory"
Abstract:
Molecular-Frame Photoelectron Angular Distribution (MFPAD) enables us to measure the Photoelectron Angular Distribution of molecules as if fixed in space. We investigated theoretical aspects of MFPAD based on Multiple Scattering Theory. In this talk, we show our recent studies considering to apply ultrashort laser pulses for MPFAD.

11:30-11:50 Hiroka Hasegawa (UEC)
"Calculation of dissociative ionization of molecules in intense laser fields"
Abstract:
We investigated the dissociation of molecular ions in intense laser fields by numerically solving the time-dependent Schrodinger equation. In this talk, we will present the results for diatomic molecular ion H2+, and the progress for polyatomic molecular ion CH42+.

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11:50-13:20 LUNCH DISCUSSION
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13:20-14:20 POSTER SESSION
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Kazuki Yoshikawa (U Toyama - U Camerino: double degree)
"Investigating the origin of atomic XAFS by the wavelet transform in the framework of multiple scattering theory"
Abstract:Fourier transforms of oscillation in Extended X-ray Absorption Fine Structure (EXAFS) yield a peak at the distance of the nearest neighbor atoms. However, another peak sometimes appears at about half the distance, which is called Atomic XAFS (AXAFS). We investigated the origin of AXAFS by not only the Fourier transform but also the Wavelet transform.
Shin Yasuda (U Toyama)
 "Renormalization schemes for X-ray photoelectron spectroscopy: Application to perovskites"
Abstract:
X-ray Photoelectron Diffraction (XPD) is a powerful tool to investigate structures of materials near the surface. However, the the series expansion typically used for the calculation
shows divergence for materials like Perovskites, since the number of atoms for the theoretical analyses of XPD becomes large around 1000. To avoid this problem, we employed renormalization schemes. We applied one of the schemes to a Perovskite material SrTiO3 and reproduced the experimental XPD spectra well.

Takumi Kuraoka (U Toyama)
"Imaging femtosecond intramolecular hydrogen migration in dicationic alcohol molecules using polarization averaged molecular-frame photoelectron angular distributions"
Abstract:
X-ray pump/probe schemes in Few-femtosecond order at large-scale X-ray free electron laser facilities enable observation of ultrafast dynamics in molecules with temporal and spatial resolution. We traced hydrogen migrations in dicationic alcohol molecules after pump X-ray irradiation by polarization-averaged molecular frame photoelectron angular distributions (PA-MFPADs).

Ryosuke Nitta (U Toyama)
"Theoretical study of energy dependence of the non-dipole parameter ζ in N 1s ionization of nitrogen molecules"
Abstract:
Non-dipole effects are non-negligible in photoelectronexcitation in high photon energy regime. We demonstrated calculationsfor the non-dipole parameters in N 1s photoelectron angular
distributions of nitrogen molecules. Our results showed that the non-dipole effects are rather small in the shape resonance energy region.

Runa Kuroda (Nagoya U)
"Electron-ion coincidence momentum imaging of tunnel electron circular dichroism of methyloxirane studied with a high rep-rate Yb:KGW laser"
Abstract:
 Tunnel electron circular dichroism of (S)-Methyloxirane in intense laser fields (1013~1014 W/cm2, 1035 nm) is studied by three-dimensional electron-ion coincidence measurements. The transverse momentum distributions shows a clear difference in the intensity between the forward and backward components along the laser propagation direction. It was found that the degree of the difference depends on the counterpart ions produced by the dissociative tunneling ionization.

Kyoichiro Yasui (Nagoya U)
"Measuring inelastic electron rescattering of CO in intense laser fields by electron-ion coincidence momentum imaging"
Abstract:
The inelastic electron rescattering of CO in intense laser fields (~1014 W/cm2, 1035 nm, 35 fs) has been studied by electron-ion coincidence momentum imaging using Cold Target Recoil Ion Momentum Spectrometer (COLTRIMS). The inelastic rescattering amplitudes for CO+(X2Σ+) +e- → CO+(C2Σ+)+e- were obtained from the momentum distributions of the tunneling electrons recorded in coincidence with C+ in the backward scattering region.

Ugalino Ralph (QST)
"Observing electron dynamics in blue copper proteins by resonant inelastic x-ray scattering (RIXS)"
Abstract:
Click here

Hiroka Hasegawa (UEC)
"Details of calculation of molecular dissociative ionization in intense laser fields"
Abstract:

Saeed Muhammad (UEC)
"Tunneling ionization of doubly excited states of helium"
Abstract:
We study the tunneling ionization of doubly excited states of helium using a pump-probe setup and analyze the resulting photoelectron momentum distribution (PEMD). The photoelectron momentum distribution (PEMD) is approximated using the adiabatic theory of ionization of atoms by intense laser pulses within the framework of many-electron weak field asymptotic theory (ME-WFAT) of tunneling ionization. On the other hand, ionization rate and PEMD are obtained by fully correlated time-dependent numerical calculations. We investigate numerical results in light of adiabatic theory within ME-WFAT.

Yushi Ishida (UEC)
"Calculation of caustic and differential cross sections in inelastic recollision of CO"
Abstract:
We investigated the photoelectron momentum distribution of CO molecule in the process of electron recollisional excitation of CO by classical trajectory calculations of electrons. Caustic is generated by a pair of two trajectories produced in a half-cycle of laser. We will present caustics in inelastic collision and differential cross sections on the caustic which are obtained under the Born approximation.

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14:20-14:40 FREE DISCUSSION
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14:40-15:20 Yoshiaki Tamura (U Toyama)
"Theoretical study of time delay of core-level photoemission in the framework of multiple scattering theory"
Abstract:
The recent development of X-ray free electron lasers and higher harmonic generation light sources has enabled attosecond resolution measurement of core-level photoemission time delay (PTD) in molecules using soft X-ray attosecond pulses. Molecular PTD exhibits a complex emission angle dependence in the molecular frame, which reflects the anisotropy of the
molecular structure and potential. We analytically investigate the behaviour of PTD by representing the scattering state of photoelectrons as a superposition of a direct wave from each atom and a single scattering wave from the other atom.

15:20-15:40 Takeshi Odagiri (Sophia U)
"Spin dependence in core-valence double photoionization of neon"
Abstract:
Core-valence double photoionization (DPI) of Ne leading to the 1s－1 2s－1 1,3S and 1s－12p－1 1,3P states of Ne2+ has been studied using a multielectron coincidence technique. Each DPI process is distinctly identified in the energy correlation between two photoelectrons. The ratios of singlet-to-triplet cross sections exhibit variation with photon energy, indicating a spin dependence in the DPI dynamics. The state-resolved DPI probabilities have revealed a significant disparity in the dynamics of the Knock-out mechanism between the DPI into the 1P and 3P states

15:40-16:00 Kennosuke Hoshina (Niigata U of Pharmacy and Medical and Life Sciences)
"Observation of unexpected signals in fs-MALDI"
Abstract:
We performed experiments using femtosecond laser irradiation in MALDI, a highly sensitive analytical method that traditionally uses nanosecond UV lasers. While we did not discover any new phenomena in the MALDI signals themselves, we observed an unexpected result: the generation of hydrogen molecular ions through laser-metal plate interactions. Since this phenomenon was completely absent with nanosecond laser irradiation, we propose that it occurs through a unique process involving non-equilibrium plasma generated by the femtosecond laser.

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16:00-16:20 FREE DISCUSSION
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16:20-17:00  Yasumasa Hikosaka (U Toyama)
"Amplified collective Auger decay of double inner-shell vacancy in Xe"
Abstract:
When double inner-shell vacancies arise in atoms and molecules, a less common Auger process called collective Auger decay can occur. In this process, two outer electrons simultaneously fill the double vacancies while releasing only a single energetic Auger electron. This talk presents our recent study on the collective Auger decay of Xe²⁺ 4d⁻² double core-hole states using multi-electron-ion coincidence spectroscopy.

17:00-17:20 Shin-ichi Wada (Hiroshima U)
"Electronic transport properties of aromatic molecules probed by localized core-electron excitations - Approach by electron spectroscopy"
Abstract:
In organic molecules that strongly interact with metal substrates, electrons are transported quickly through the molecules to the conduction bands of the metals. Electron transfer of excited electrons locally generated by site-selective resonant core-excitations was monitored by static Auger electron spectroscopy to characterize its dependence on molecular conductivity.

17:20-17:40 Akitaka Matsuda (Nagoya U)
"Chemical reactions in intense laser fields: Unimolecular and many-body reaction processes"
Abstract:
Intense laser fields offer unique methods to control chemical reactions through nonlinear interactions with molecules. In this talk, we report the asymmetric Coulomb explosion of vibrationally excited NO2 in phase-locked ω-2ω two-color intense laser fields. Possible origins of the observed initial vibrational state dependence will be discussed. Attempt to extend the chemical reaction control to many-body reactions by using a laser filament as the reaction field will also be presented.

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17:40-20:00 FREE DISCUSSION
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Feb 5  (Wed) 2024
Venue: U of Toyoma
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11:05-11:20 FREE DISCUSSION
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12:20-13:30 FREE DISCUSSION
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Toru Morishita,UEC