Electron transfer with TD-Split, a linear response time-dependent method

2011 ◽  
Vol 391 (1) ◽  
pp. 62-68 ◽  
Author(s):  
Lizette A. Bartell ◽  
Randa Reslan ◽  
Michael R. Wall ◽  
Robert D. Kennedy ◽  
Daniel Neuhauser
Keyword(s):  
Electron Transfer ◽  
Response Time ◽  
Linear Response ◽  
Time Dependent

scholarly journals Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations

2020 ◽  
Vol 22 (46) ◽  
pp. 26852-26864 ◽  
Author(s):  
Zheng Pei ◽  
Junjie Yang ◽  
Jingheng Deng ◽  
Yuezhi Mao ◽  
Qin Wu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Response Time ◽  
Linear Response ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Functional Theory ◽  
Tddft Calculations ◽  
Density Analysis ◽  
Dependent Density

Inspired by the analysis of Kohn–Sham energy densities by Nakai and coworkers, we extended the energy density analysis to linear-response time-dependent density functional theory (LR-TDDFT) calculations.

scholarly journals Linear-Response Time-Dependent Embedded Mean-Field Theory

2017 ◽  
Vol 13 (9) ◽  
pp. 4216-4227 ◽  
Author(s):  
Feizhi Ding ◽  
Takashi Tsuchiya ◽  
Frederick R. Manby ◽  
Thomas F. Miller
Keyword(s):  
Field Theory ◽  
Response Time ◽  
Linear Response ◽  
Mean Field Theory ◽  
Mean Field ◽  
Time Dependent
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