Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix

2008 ◽  
Vol 128 (11) ◽  
pp. 114109 ◽  
Author(s):  
Loren Greenman ◽  
David A. Mazziotti
Keyword(s):  
Excited State ◽  
Density Matrix ◽  
Ground State ◽  
Linear Response ◽  
Linear Response Theory ◽  
Reduced Density Matrix ◽  
Response Theory ◽  
Electronic Excited State ◽  
Reduced Density

scholarly journals To unravel the connection between the non-equilibrium and equilibrium solvation dynamics of tryptophan: success and failure of the linear response theory of fluorescence Stokes shift

RSC Advances ◽  
2020 ◽  
Vol 10 (31) ◽  
pp. 18348-18354
Author(s):  
Xiaofang Wang ◽  
Jirui Guo ◽  
Tanping Li ◽  
Zhiyi Wei
Keyword(s):  
Excited State ◽  
Linear Response ◽  
Stokes Shift ◽  
Linear Response Theory ◽  
Solvation Dynamics ◽  
Response Theory ◽  
Gaussian Statistics ◽  
Non Equilibrium

Success and failure of linear response theory for Stokes shift correlate with the excited state Gaussian statistics.

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