Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional

2014 ◽  
Vol 10 (9) ◽  
pp. 3980-3986 ◽  
Author(s):  
Tom Ziegler ◽  
Mykhaylo Krykunov ◽  
Jochen Autschbach
Keyword(s):  
Excited State ◽  
Ground State ◽  
Variational Approach ◽  
Random Phase Approximation ◽  
Density Functional ◽  
Random Phase ◽  
Time Dependent ◽  
Phase Approximation ◽  
State Response ◽  
Dependent Density

scholarly journals Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽  
2021 ◽  
Author(s):  
Guanzhao Wen ◽  
Xianshao Zou ◽  
Rong Hu ◽  
Jun Peng ◽  
Zhifeng Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Steady State ◽  
Excited States ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Functional Theory ◽  
Time Resolved ◽  
Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

VARIATIONAL RANDOM PHASE APPROXIMATION FOR THE ANHARMONIC OSCILLATOR

1991 ◽  
Vol 06 (26) ◽  
pp. 2429-2435 ◽  
Author(s):  
J. DUKELSKY ◽  
P. SCHUCK
Keyword(s):  
Wave Function ◽  
Density Matrix ◽  
Ground State ◽  
Random Phase Approximation ◽  
Anharmonic Oscillator ◽  
Random Phase ◽  
Oscillator Model ◽  
Phase Approximation ◽  
Truncation Scheme

The recently derived Variational Random Phase Approximation is examined using the anharmonoic oscillator model. Special attention is paid to the ground state RPA wave function and the convergence of the proposed truncation scheme to obtain the diagonal density matrix.

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