230 citations · 682 across the 14 of their papers we have counts for
14 papers
Machine Learning Exchange-Correlation Potential in Time Dependent Density Functional Theory
Yasumitsu Suzuki, Ryo Nagai, Jun Haruyama
We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from t…
Simulation of a Hydrogen Atom in Laser Field Using the Time-Dependent Variational Principle
Keefer Rowan, Louis Schatzki, Timothy Zaklama +3
The time-dependent variational principle is used to optimize the linear and nonlinear parameters of Gaussian basis functions to solve the time-dependent Schrodinger equation in 1 a…
Excitons in two-dimensional atomic layer materials from time-dependent density functional theory
Yasumitsu Suzuki, Kazuyuki Watanabe
Time-dependent density functional theory (TDDFT) has been applied to the calculation of absorption spectra for two-dimensional atomic layer materials. We reveal that the character…
Time-Dependent Multi-Component Density Functional Theory for Coupled Electron-Positron Dynamics
Yasumitsu Suzuki, Satoshi Hagiwara, Kazuyuki Watanabe
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electr…
Electron Scattering in Time-Dependent Density Functional Theory
Lionel Lacombe, Yasumitsu Suzuki, Kazuyuki Watanabe +1
It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation…
Exact time-dependent exchange-correlation potential in electron scattering processes
Yasumitsu Suzuki, Lionel Lacombe, Kazuyuki Watanabe +1
We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scatterin…
Bohmian mechanics in the exact factorization of electron-nuclear wavefunction
Yasumitsu Suzuki, Kazuyuki Watanabe
The exact factorization of an electron-nuclear wavefunction [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] allows us to define the rigorous nucle…
Laser-induced electron localization in H: Mixed quantum-classical dynamics based on the exact time-dependent potential energy surface
Yasumitsu Suzuki, Ali Abedi, Neepa T. Maitra +1
We study the exact nuclear time-dependent potential energy surface (TDPES) for laser-induced electron localization with a view to eventually developing a mixed quantum-classical dy…
Momentum-dependent sign-inversion of orbital polarization in superconducting FeSe
Y. Suzuki, T. Shimojima, T. Sonobe +14
We investigate the electronic reconstruction across the tetragonal-orthorhombic structural transition in FeSe by employing polarization-dependent angle-resolved photoemission spect…
Lifting of xz/yz orbital degeneracy at the structural transition in detwinned FeSe
T. Shimojima, Y. Suzuki, T. Sonobe +14
We study superconducting FeSe (Tc = 9 K) exhibiting the tetragonal-orthorhombic structural transition (Ts = 90 K) without any antiferromagnetic ordering, by utilizing angle-resolve…
The exact forces on classical nuclei in non-adiabatic charge transfer
Federica Agostini, Ali Abedi, Yasumitsu Suzuki +3
The decomposition of electronic and nuclear motion presented in~[A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential…
Exact Electronic Potentials in Coupled Electron-Ion Dynamics
Yasumitsu Suzuki, Ali Abedi, Neepa T. Maitra +2
We develop a novel approach to the coupled motion of electrons and ions that focuses on the dynamics of the electronic subsystem. Usually the description of electron dynamics invol…
Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: A fresh look at non-adiabatic processes
Federica Agostini, Ali Abedi, Yasumitsu Suzuki +1
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E…
Steps in the exact time-dependent potential energy surface
Ali Abedi, Federica Agostini, Yasumitsu Suzuki +1
We study the exact Time-Dependent Potential Energy Surface (TDPES) in the presence of strong non-adiabatic coupling between the electronic and nuclear motion. The concept of the TD…