Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)

2015 ◽  
pp. 125-183 ◽  
Author(s):  
Katarzyna Pernal ◽  
Klaas J. H. Giesbertz
Keyword(s):  
Density Matrix ◽  
Response Time ◽  
Linear Response ◽  
Time Dependent ◽  
Reduced Density Matrix ◽  
Functional Theory ◽  
Reduced Density

Time dependent reduced density matrix functional theory at strong correlation: insights from a two-site Anderson impurity model

2021 ◽  
Author(s):  
Stefano Di Sabatino ◽  
Claudio Verdozzi ◽  
Pina Romaniello
Keyword(s):  
Density Matrix ◽  
Strong Correlation ◽  
Time Dependent ◽  
Reduced Density Matrix ◽  
Body Density ◽  
Functional Theory ◽  
Impurity Model ◽  
Anderson Impurity Model ◽  
The One ◽  
Reduced Density

The one-body density matrix has recently attracted considerable attention as promising key quantity for the description of systems out of equilibrium. Its time evolution is given in terms of the...

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.

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