Search Results - "Decleva, P"
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Ultrafast electron dynamics in phenylalanine initiated by attosecond pulses
Published in Science (American Association for the Advancement of Science) (17-10-2014)“…In the past decade, attosecond technology has opened up the investigation of ultrafast electronic processes in atoms, simple molecules, and solids. Here, we…”
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Attosecond photoionisation time delays reveal the anisotropy of the molecular potential in the recoil frame
Published in Nature communications (10-03-2022)“…Photoionisation time delays carry structural and dynamical information on the target system, including electronic correlation effects in atoms and molecules…”
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Full Ab Initio Many-Electron Simulation of Attosecond Molecular Pump–Probe Spectroscopy
Published in Journal of chemical theory and computation (09-10-2018)“…Here, we present an ab initio approach to full simulation of an attosecond molecular pump–probe experiment. Sequential molecular double ionization by the pump…”
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Photoionization of endohedral molecules: N2@C60
Published in Physica scripta (13-08-2021)“…Calculations of the photoionization of the nitrogen $1σ_g$, $1σ_u$, and $2σ_g$, states of the N2@C60 molecule are performed at the density functional theory…”
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Photoionization of C 60 : Effects of Correlation on Cross Sections and Angular Distributions of Valence Subshells
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09-01-2020)“…Calculations of the photoionization cross section and asymmetry parameter, β, are performed at the density functional theory (DFT) and time-dependent density…”
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6
Acetylacetone photodynamics at a seeded free-electron laser
Published in Nature communications (04-01-2018)“…The first steps in photochemical processes, such as photosynthesis or animal vision, involve changes in electronic and geometric structure on extremely short…”
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Photoionization of C60: Effects of Correlation on Cross Sections and Angular Distributions of Valence Subshells
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09-01-2020)“…Calculations of the photoionization cross section and asymmetry parameter, β, are performed at the density functional theory (DFT) and time-dependent density…”
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Selecting core-hole localization or delocalization in CS2 by photofragmentation dynamics
Published in Nature communications (21-01-2015)“…Electronic core levels in molecules are highly localized around one atomic site. However, in single-photon ionization of symmetric molecules, the question of…”
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Attosecond metrology of the two-dimensional charge distribution in molecules
Published in Nature physics (01-05-2024)“…Photoionization as a half-scattering process is not instantaneous. Usually, time delays in photoionization are on the order of tens of attoseconds. In going…”
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Photoelectron Interference in Metallocenes: A Probe of Geometrical and Electronic Structure
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-08-2014)“…The present work concerns the study of high-energy structures in the photoionization of Mg and Be metallocenes due to photoelectron diffraction. The influence…”
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Charge migration in photo-ionized aromatic amino acids
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (20-05-2019)“…Attosecond pump-probe spectroscopy is a unique tool for the direct observation of the light-activated electronic motion in molecules and it offers the…”
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Controlling Fragmentation of the Acetylene Cation in the Vacuum Ultraviolet via Transient Molecular Alignment
Published in The journal of physical chemistry letters (12-01-2023)“…An open-loop control scheme of molecular fragmentation based on transient molecular alignment combined with single-photon ionization induced by a…”
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Basic studies toward ultrafast soft x-ray photoelectron diffraction; its application to probing local structure in iodobenzene molecules
Published in Structural dynamics (Melville, N.Y.) (01-03-2022)“…Ultrafast x-ray photoelectron diffraction (UXPD) for free molecules has a promising potential to probe the local structures of the molecules in an…”
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Off-resonance photoemission dynamics studied by recoil frame F1s and C1s photoelectron angular distributions of CH3F
Published in The Journal of chemical physics (28-01-2014)“…F1s and C1s photoelectron angular distributions are considered for CH3F, a molecule which does not support any shape resonance. In spite of the absence of…”
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Resonant circular dichroism of chiral metal-organic complex
Published in Physical review letters (24-02-2012)“…A sizable enhancement of the circular dichroism in photoelectron spectroscopy has been measured and computed for the metal complex Δ-cobalt(III)…”
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Angular momentum sensitive two-center interference
Published in Physical review letters (17-01-2014)“…In quantum mechanics the Young-type double-slit experiment can be performed with electrons either traveling through a double slit or being coherently emitted…”
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Convergence of the multicenter B-spline DFT approach for the continuum
Published in Chemical physics (01-01-2002)“…A multicenter approach for the calculation of the electronic continuum spectrum based on the B-spline functions and employing a Kohn–Sham density functional…”
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Vibrationally Resolved B 1s Photoionization Cross Section of BF3
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11-06-2015)“…Photoelectron diffraction is a well-established technique for structural characterization of solids, based on the interference of the native photoelectron wave…”
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A study of the valence shell photoionisation dynamics of pyrimidine and pyrazine
Published in Chemical physics (18-11-2011)“…The complete valence shell photoelectron spectra of pyrimidine and pyrazine have been recorded with synchrotron radiation and interpreted with the aid of…”
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