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Kazuo Takatsuka
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Journal Articles

Mechanism of quantum chaos in molecular nonadiabatic electron dynamics

Kazuo Takatsuka, Yasuki Arasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 061101 (2024)
https://doi.org/10.1063/5.0219345
Published: August 2024
View articletitled, Mechanism of quantum chaos in molecular nonadiabatic electron dynamics
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Journal Articles

Geometrical decomposition of nonadiabatic interactions to collective coordinates in many-dimensional and many-state mixed fast–slow dynamics

Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044112 (2024)
https://doi.org/10.1063/5.0186816
Published: January 2024
View articletitled, Geometrical decomposition of nonadiabatic interactions to collective coordinates in many-dimensional and many-state mixed fast–slow dynamics
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Journal Articles

Spin current in the early stage of radical reactions and its mechanisms

Kota Hanasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144111 (2023)
https://doi.org/10.1063/5.0169281
Published: October 2023
View articletitled, Spin current in the early stage of radical reactions and its mechanisms
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Includes: Supplementary data
Journal Articles

Electronic-state chaos, intramolecular electronic energy redistribution, and chemical bonding in persisting multidimensional nonadiabatic systems

Kazuo Takatsuka, Yasuki Arasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 074110 (2023)
https://doi.org/10.1063/5.0159178
Published: August 2023
View articletitled, Electronic-state chaos, intramolecular electronic energy redistribution, and chemical bonding in persisting multidimensional nonadiabatic systems
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Journal Articles

Energy natural orbital characterization of nonadiabatic electron wavepackets in the densely quasi-degenerate electronic state manifold

Yasuki Arasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114102 (2023)
https://doi.org/10.1063/5.0139288
Published: March 2023
View articletitled, Energy natural orbital characterization of nonadiabatic electron wavepackets in the densely quasi-degenerate electronic state manifold
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Includes: Supplementary data
Journal Articles

Real-time electronic energy current and quantum energy flux in molecules

Kazuo Takatsuka, Yasuki Arasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 244108 (2022)
https://doi.org/10.1063/5.0131200
Published: December 2022
View articletitled, Real-time electronic energy current and quantum energy flux in molecules
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Journal Articles

Nature of chemical bond and potential barrier in an invariant energy-orbital picture

Yasuki Arasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 234102 (2022)
https://doi.org/10.1063/5.0088340
Published: June 2022
View articletitled, Nature of chemical bond and potential barrier in an invariant energy-orbital picture
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Includes: Supplementary data
Journal Articles

An orbital picture extracted from correlated electronic wavefunctions and application to forbidden reactions: 70 years of the frontier orbital theory

Kazuo Takatsuka, Yasuki Arasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064104 (2021)
https://doi.org/10.1063/5.0059370
Published: August 2021
View articletitled, An orbital picture extracted from correlated electronic wavefunctions and application to forbidden reactions: 70 years of the frontier orbital theory
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Journal Articles

On the molecular electronic flux: Role of nonadiabaticity and violation of conservation

Kota Hanasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 164112 (2021)
https://doi.org/10.1063/5.0049821
Published: April 2021
View articletitled, On the molecular electronic flux: Role of nonadiabaticity and violation of conservation
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Journal Articles

Energy natural orbitals

Kazuo Takatsuka, Yasuki Arasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094103 (2021)
https://doi.org/10.1063/5.0034810
Published: March 2021
View articletitled, Energy natural orbitals
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Journal Articles

Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons

Kentaro Yamamoto, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 024115 (2020)
https://doi.org/10.1063/1.5139065
Published: January 2020
View articletitled, Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons
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Includes: Supplementary data
Journal Articles

Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approach

Kota Hanasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 084102 (2019)
https://doi.org/10.1063/1.5109272
Published: August 2019
View articletitled, Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approach
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Journal Articles

Chemical bonding and nonadiabatic electron wavepacket dynamics in densely quasi-degenerate excited electronic state manifold of boron clusters

Yasuki Arasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 114101 (2019)
https://doi.org/10.1063/1.5094149
Published: March 2019
View articletitled, Chemical bonding and nonadiabatic electron wavepacket dynamics in densely quasi-degenerate excited electronic state manifold of boron clusters
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Includes: Supplementary data
Journal Articles

Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation

Rei Matsuzaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 014103 (2019)
https://doi.org/10.1063/1.5066571
Published: January 2019
View articletitled, Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation
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Journal Articles

Ab initio calculation of femtosecond-time-resolved photoelectron spectra of NO2 after excitation to the A-band

Andres Tehlar, Aaron von Conta, Yasuki Arasaki, Kazuo Takatsuka, Hans Jakob Wörner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 034307 (2018)
https://doi.org/10.1063/1.5029365
Published: July 2018
View articletitled, Ab initio calculation of femtosecond-time-resolved photoelectron spectra of NO2 after excitation to the A-band
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Includes: Supplementary data
Journal Articles

Nonadiabatic electron wavepacket dynamics behind molecular autoionization

Takahide Matsuoka, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 014106 (2018)
https://doi.org/10.1063/1.5000293
Published: January 2018
View articletitled, Nonadiabatic electron wavepacket dynamics behind molecular autoionization
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Journal Articles

Theory of molecular nonadiabatic electron dynamics in condensed phases

Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 174102 (2017)
https://doi.org/10.1063/1.4993240
Published: November 2017
View articletitled, Theory of molecular nonadiabatic electron dynamics in condensed phases
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Journal Articles

Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study

Takahide Matsuoka, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 134114 (2017)
https://doi.org/10.1063/1.4979672
Published: April 2017
View articletitled, Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study
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Includes: Supplementary data
Journal Articles

Lorentz-like force emerging from kinematic interactions between electrons and nuclei in molecules: A quantum mechanical origin of symmetry breaking that can trigger molecular chirality

Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 084312 (2017)
https://doi.org/10.1063/1.4976976
Published: February 2017
View articletitled, Lorentz-like force emerging from kinematic interactions between electrons and nuclei in molecules: A quantum mechanical origin of symmetry breaking that can trigger molecular chirality
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Journal Articles

Nonadiabatic dynamics in intense continuous wave laser fields and real-time observation of the associated wavepacket bifurcation in terms of spectrogram of induced photon emission

Yuta Mizuno, Yasuki Arasaki, Kazuo Takatsuka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 184305 (2016)
https://doi.org/10.1063/1.4966965
Published: November 2016
View articletitled, Nonadiabatic dynamics in intense continuous wave laser fields and real-time observation of the associated wavepacket bifurcation in terms of spectrogram of induced photon emission
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