scholarly journals Efficient method for simulating quantum electron dynamics under the time-dependent Kohn-Sham equation

2002 ◽  
Vol 65 (3) ◽  
Author(s):  
Naoki Watanabe ◽  
Masaru Tsukada
Keyword(s):  
Efficient Method ◽  
Time Dependent ◽  
Electron Dynamics ◽  
Sham Equation ◽  
Quantum Electron

Imaginary-Time Time-Dependent Density Functional Calculation of Excited States of Atoms Using CWDVR Approach

2021 ◽  
Vol 323 ◽  
pp. 14-20
Author(s):  
Naranchimeg Dagviikhorol ◽  
Munkhsaikhan Gonchigsuren ◽  
Lochin Khenmedekh ◽  
Namsrai Tsogbadrakh ◽  
Ochir Sukh
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Discrete Variable ◽  
Coulomb Wave Function ◽  
Discrete Variable Representation ◽  
Density Functional Calculation ◽  
Imaginary Time ◽  
Sham Equation ◽  
Variable Representation

We have calculated the energies of excited states for the He, Li, and Be atoms by the time dependent self-consistent Kohn Sham equation using the Coulomb Wave Function Discrete Variable Representation CWDVR) approach. The CWDVR approach was used the uniform and optimal spatial grid discretization to the solution of the Kohn-Sham equation for the excited states of atoms. Our results suggest that the CWDVR approach is an efficient and precise solutions of excited-state energies of atoms. We have shown that the calculated electronic energies of excited states for the He, Li, and Be atoms agree with the other researcher values.

Time-Resolved Imaging of Correlation-Driven Charge Migration in Light-Induced Molecular Magnets by X-ray Scattering

2020 ◽  
Author(s):  
Jean-Christophe Tremblay ◽  
Gunter Hermann ◽  
Vincent Pohl ◽  
Gopal Dixit
Keyword(s):  
Molecular Magnets ◽  
Time Dependent ◽  
Electron Dynamics ◽  
Charge Migration ◽  
Time Resolved ◽  
X Ray ◽  
X Ray Scattering ◽  
Induced Charge ◽  
Time Resolved Imaging ◽  
The Stability

In this contribution, we investigate the effect of correlation-induced charge migration on the stability of light-induced molecular magnets. Laser-driven electron dynamics is simulated using density-matrix based time-dependent configuration interaction. The...

Semiclassical versus quantal time-dependent mean-field descriptions of electron dynamics in ion-cluster collisions

2000 ◽  
Vol 61 (3) ◽  
Author(s):  
L. Plagne ◽  
J. Daligault ◽  
K. Yabana ◽  
T. Tazawa ◽  
Y. Abe ◽  
...  
Keyword(s):  
Mean Field ◽  
Time Dependent ◽  
Electron Dynamics ◽  
Ion Cluster

Semi-relativistic Quantum Electron Dynamics—A Lagrangian Approach

2014 ◽  
pp. 172-174 ◽  
Author(s):  
A. Dixit ◽  
Y. Hinschberger ◽  
J. Zamanian ◽  
G. Manfredi ◽  
P.-A. Hervieux
Keyword(s):  
Relativistic Quantum ◽  
Lagrangian Approach ◽  
Electron Dynamics ◽  
Quantum Electron
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