scholarly journals Nonlinear response time-dependent density functional theory combined with the effective fragment potential method

2014 ◽  
Vol 140 (18) ◽  
pp. 18A523 ◽  
Author(s):  
Federico Zahariev ◽  
Mark S. Gordon
Keyword(s):  
Density Functional Theory ◽  
Response Time ◽  
Density Functional ◽  
Nonlinear Response ◽  
Potential Method ◽  
Time Dependent ◽  
Functional Theory ◽  
Effective Fragment Potential ◽  
Dependent Density

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.

Plasmon-induced nonlinear response of silver atomic chains

Nanoscale ◽  
2018 ◽  
Vol 10 (18) ◽  
pp. 8600-8605 ◽  
Author(s):  
Lei Yan ◽  
Mengxue Guan ◽  
Sheng Meng
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Nonlinear Response ◽  
Nonlinear Effects ◽  
Time Dependent ◽  
Microscopic Mechanism ◽  
Functional Theory ◽  
Atomic Chains ◽  
Dependent Density

The microscopic mechanism for plasmon-induced nonlinear effects is revealed using time-dependent density functional theory.

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