scholarly journals Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

2016 ◽  
Vol 116 (23) ◽  
Author(s):  
Aurora Pribram-Jones ◽  
Paul E. Grabowski ◽  
Kieron Burke
Keyword(s):  
Density Functional Theory ◽  
Linear Response ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Fluctuation Dissipation ◽  
Fluctuation Dissipation Theorem

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-scaling time-dependent density-functional theory in the linear response formalism

2013 ◽  
Vol 139 (6) ◽  
pp. 064104 ◽  
Author(s):  
T. J. Zuehlsdorff ◽  
N. D. M. Hine ◽  
J. S. Spencer ◽  
N. M. Harrison ◽  
D. J. Riley ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Linear Response ◽  
Density Functional ◽  
Time Dependent ◽  
Linear Scaling ◽  
Functional Theory ◽  
Dependent Density
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