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Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules
We present two open-source datasets that provide time-dependent density-functional tight-
binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets …
binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets …
Frustrated double ionization of argon atoms in strong laser fields
We demonstrate kinematically complete measurements on frustrated double ionization of
argon atoms in strong laser fields with a reaction microscope. We found that the electron …
argon atoms in strong laser fields with a reaction microscope. We found that the electron …
Twistable dipolar aryl rings as electric field actuated conformational molecular switches
KJ Lozano, R Santiago, J Ribas-Arino… - Physical Chemistry …, 2021 - pubs.rsc.org
The ability to control the chemical conformation of a system via external stimuli is a
promising route for develo** molecular switches. For eventual deployment as viable sub …
promising route for develo** molecular switches. For eventual deployment as viable sub …
Deformation of an inner valence molecular orbital in ethanol by an intense laser field
H Akagi, T Otobe, R Itakura - Science Advances, 2019 - science.org
Valence molecular orbitals play a crucial role in chemical reactions. Here, we reveal that an
intense laser field deforms an inner valence orbital (10a′) in the ethanol molecule. We …
intense laser field deforms an inner valence orbital (10a′) in the ethanol molecule. We …
Theoretical study of low-energy electron collision with normal-pentane using R-matrix method
X Jiang, N Liu, J Chen, Q Chen, Y Zhang… - Physica …, 2023 - iopscience.iop.org
Low-energy electron collisions with normal-pentane (nC 5 H 12) that initiate the plasma to
assist combustion are critical in understanding the underlying physics and chemistries. In …
assist combustion are critical in understanding the underlying physics and chemistries. In …
Dissociation dynamics of multiply charged in moderately intense laser fields
We report on the fragmentation of multiply charged CH 3 I ions through dissociative
ionization and Coulomb explosion induced by moderately intense (10 12–10 13 W/cm 2) …
ionization and Coulomb explosion induced by moderately intense (10 12–10 13 W/cm 2) …
Laser-subcycle control of electronic excitation across system boundaries
M Dorner-Kirchner, S Erattupuzha… - Journal of Physics B …, 2021 - iopscience.iop.org
We report on the results of a joint experimental and numerical study on the sub-cycle laser
field-driven electron dynamics that underlie the population of highly excited electronic states …
field-driven electron dynamics that underlie the population of highly excited electronic states …
GDB-9-Ex and ORNL_AISD-Ex: Two open-source datasets for quantum chemical UV-vis electronic excitation spectra of organic molecules
We present two open-source datasets that provide time-dependent density-functional tight-
binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets …
binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets …
Channel-Resolved Angular Correlation Between Photoelectron Emission and Fragment Ion Recoil of Ethanol in Intense Laser Fields
R Itakura, H Akagi, T Otobe - Progress in Ultrafast Intense Laser Science …, 2021 - Springer
We investigate multi-channel dissociative ionization of ethanol in intense near-infrared laser
fields with photoelectron-photoion coincidence three-dimensional momentum imaging. As …
fields with photoelectron-photoion coincidence three-dimensional momentum imaging. As …
Applications of intense laser pulses to the control of attosecond processes in gas-phase atoms and dimers
M Dorner-Kirchner - 2022 - repositum.tuwien.at
When a laser pulse interacts with a physical system, the laser electric field directly couples to
the system's electronic structure and allows to observe and, given sufficient field strength …
the system's electronic structure and allows to observe and, given sufficient field strength …