scholarly journals Comparison of quantum Monte Carlo with time-dependent and static density-functional theory calculations of diamondoid excitation energies and Stokes shifts

2011 ◽  
Vol 84 (24) ◽  
Author(s):  
F. Marsusi ◽  
J. Sabbaghzadeh ◽  
N. D. Drummond
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Excitation Energies ◽  
Functional Theory ◽  
Stokes Shifts

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.

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