scholarly journals Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation

2021 ◽  
Vol 155 (10) ◽  
pp. 100901
Author(s):  
Christopher Shepard ◽  
Ruiyi Zhou ◽  
Dillon C. Yost ◽  
Yi Yao ◽  
Yosuke Kanai
Keyword(s):  
Plane Wave ◽  
Real Time ◽  
Electronic Excitation ◽  
Time Propagation

ODE integration schemes for plane-wave real-time time-dependent density functional theory

2019 ◽  
Vol 150 (1) ◽  
pp. 014101 ◽  
Author(s):  
Daniel A. Rehn ◽  
Yuan Shen ◽  
Marika E. Buchholz ◽  
Madan Dubey ◽  
Raju Namburu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Plane Wave ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Integration Schemes ◽  
Dependent Density

scholarly journals Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

2017 ◽  
Vol 13 (9) ◽  
pp. 4410-4420 ◽  
Author(s):  
Soumen Ghosh ◽  
Amity Andersen ◽  
Laura Gagliardi ◽  
Christopher J. Cramer ◽  
Niranjan Govind
Keyword(s):  
Real Time ◽  
Optical Spectra ◽  
Organic Systems ◽  
Time Propagation ◽  
Effective Hamiltonians

scholarly journals Momentum-resolved TDDFT algorithm in atomic basis for real time tracking of electronic excitation

2018 ◽  
Vol 149 (15) ◽  
pp. 154104 ◽  
Author(s):  
Chao Lian ◽  
Shi-Qi Hu ◽  
Meng-Xue Guan ◽  
Sheng Meng
Keyword(s):  
Real Time ◽  
Electronic Excitation ◽  
Real Time Tracking

scholarly journals Real time propagation of the exact two component time-dependent density functional theory

2016 ◽  
Vol 145 (10) ◽  
pp. 104107 ◽  
Author(s):  
Joshua J. Goings ◽  
Joseph M. Kasper ◽  
Franco Egidi ◽  
Shichao Sun ◽  
Xiaosong Li
Keyword(s):  
Density Functional Theory ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Two Component ◽  
Time Propagation ◽  
Component Time ◽  
Dependent Density
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