Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

2008 ◽  
Vol 29 (14) ◽  
pp. 2311-2316 ◽  
Author(s):  
Takashi Tsuchimochi ◽  
Masato Kobayashi ◽  
Ayako Nakata ◽  
Yutaka Imamura ◽  
Hiromi Nakai
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Projection Method ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
State Calculation ◽  
Excited State Calculation ◽  
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.

Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

2011 ◽  
Vol 13 (33) ◽  
pp. 15299 ◽  
Author(s):  
Yufang Liu ◽  
Yonggang Yang ◽  
Kai Jiang ◽  
Deheng Shi ◽  
Jinfeng Sun
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bond ◽  
Excited State ◽  
Density Functional ◽  
Dimethyl Sulfide ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density
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